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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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/8-VP3-O-d3c0fc99/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8-VP3-O-d3c0fc99/inputs/seq.fa: 1
curr_seq: _ACCUUAACAAAUGGGUCUACUCAUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACCUUAACAAAUGGGUCUACUCAUA
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 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 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: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -93.361335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361335 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.409
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -153.611980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.611980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.611980 (E_RNA)
where:
Base-Base interactions energy: -68.476
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.001
local terms energy: -85.135184
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -17.803
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -127.164753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.164753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.164753 (E_RNA)
where:
Base-Base interactions energy: -56.325
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.105
local terms energy: -70.733974
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -138.710236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.710236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.710236 (E_RNA)
where:
Base-Base interactions energy: -76.891
where: short stacking energy: -43.559
Base-Backbone interact. energy: -2.052
local terms energy: -59.766798
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -119.575864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.575864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.575864 (E_RNA)
where:
Base-Base interactions energy: -51.574
where: short stacking energy: -48.006
Base-Backbone interact. energy: -0.104
local terms energy: -67.898024
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.031
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -134.958871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.958871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.958871 (E_RNA)
where:
Base-Base interactions energy: -65.849
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.224
local terms energy: -68.886086
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.070
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -122.489104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.489104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.489104 (E_RNA)
where:
Base-Base interactions energy: -45.603
where: short stacking energy: -44.620
Base-Backbone interact. energy: -0.002
local terms energy: -76.884093
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -105.638487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.638487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.638487 (E_RNA)
where:
Base-Base interactions energy: -45.079
where: short stacking energy: -45.079
Base-Backbone interact. energy: -0.002
local terms energy: -60.556927
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -4.237
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -107.862437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.862437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.862437 (E_RNA)
where:
Base-Base interactions energy: -44.990
where: short stacking energy: -44.990
Base-Backbone interact. energy: 0.139
local terms energy: -63.011781
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -94.868070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.868070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.868070 (E_RNA)
where:
Base-Base interactions energy: -2.719
where: short stacking energy: -2.719
Base-Backbone interact. energy: -0.000
local terms energy: -92.148667
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -94.867973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867973 (E_RNA)
where:
Base-Base interactions energy: -2.719
where: short stacking energy: -2.719
Base-Backbone interact. energy: -0.000
local terms energy: -92.148667
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -164.214131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.214131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.214131 (E_RNA)
where:
Base-Base interactions energy: -71.545
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.840
local terms energy: -91.828913
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -138.036666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.036666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.036666 (E_RNA)
where:
Base-Base interactions energy: -56.031
where: short stacking energy: -55.779
Base-Backbone interact. energy: -0.020
local terms energy: -81.985898
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -14.749
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -162.979957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.979957 (E_RNA)
where:
Base-Base interactions energy: -84.406
where: short stacking energy: -57.346
Base-Backbone interact. energy: -0.113
local terms energy: -78.461177
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -14.002
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -142.003991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.003991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.003991 (E_RNA)
where:
Base-Base interactions energy: -68.750
where: short stacking energy: -42.599
Base-Backbone interact. energy: -0.326
local terms energy: -72.928305
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -129.609820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.609820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.609820 (E_RNA)
where:
Base-Base interactions energy: -64.028
where: short stacking energy: -43.781
Base-Backbone interact. energy: -0.245
local terms energy: -65.336650
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -100.189408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.189408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.189408 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -41.999
Base-Backbone interact. energy: 0.028
local terms energy: -55.168145
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -9.079
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -103.997750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.997750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.997750 (E_RNA)
where:
Base-Base interactions energy: -44.797
where: short stacking energy: -42.995
Base-Backbone interact. energy: -0.171
local terms energy: -59.029206
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -104.869149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.869149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.869149 (E_RNA)
where:
Base-Base interactions energy: -44.649
where: short stacking energy: -34.283
Base-Backbone interact. energy: -0.195
local terms energy: -60.024532
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -0.816
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -106.784303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.784303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.784303 (E_RNA)
where:
Base-Base interactions energy: -46.964
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.060
local terms energy: -59.760702
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -96.491549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491549 (E_RNA)
where:
Base-Base interactions energy: -42.883
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.116
local terms energy: -53.491961
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -6.795
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -160.992506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.992506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.992506 (E_RNA)
where:
Base-Base interactions energy: -79.541
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.142
local terms energy: -81.309818
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -12.046
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -149.317644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.317644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.317644 (E_RNA)
where:
Base-Base interactions energy: -62.523
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.076
local terms energy: -86.718218
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -14.971
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: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -146.472413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.472413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.472413 (E_RNA)
where:
Base-Base interactions energy: -73.878
where: short stacking energy: -52.812
Base-Backbone interact. energy: -0.356
local terms energy: -72.238128
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -151.437512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.437512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.437512 (E_RNA)
where:
Base-Base interactions energy: -88.792
where: short stacking energy: -45.668
Base-Backbone interact. energy: -0.190
local terms energy: -62.454704
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -146.321573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.321573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.321573 (E_RNA)
where:
Base-Base interactions energy: -80.766
where: short stacking energy: -44.095
Base-Backbone interact. energy: 0.599
local terms energy: -66.154586
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -158.239615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.239615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.239615 (E_RNA)
where:
Base-Base interactions energy: -95.214
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.076
local terms energy: -62.949161
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -11.117
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: 4
Temperature: 1.200000
Total energy: -114.529563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.529563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.529563 (E_RNA)
where:
Base-Base interactions energy: -48.016
where: short stacking energy: -32.284
Base-Backbone interact. energy: -0.351
local terms energy: -66.162388
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -98.151766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.151766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.151766 (E_RNA)
where:
Base-Base interactions energy: -43.098
where: short stacking energy: -16.033
Base-Backbone interact. energy: -0.429
local terms energy: -54.624664
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -4.766
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -87.554602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.554602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.554602 (E_RNA)
where:
Base-Base interactions energy: -16.915
where: short stacking energy: -16.767
Base-Backbone interact. energy: -0.250
local terms energy: -70.389936
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -87.431272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.431272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.431272 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -22.688
Base-Backbone interact. energy: 1.176
local terms energy: -59.626243
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -155.565633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.565633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.565633 (E_RNA)
where:
Base-Base interactions energy: -77.949
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.061
local terms energy: -77.555679
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -12.859
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -164.558501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.558501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.558501 (E_RNA)
where:
Base-Base interactions energy: -93.469
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.404
local terms energy: -70.685308
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -149.025058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.025058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.025058 (E_RNA)
where:
Base-Base interactions energy: -73.612
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.985
local terms energy: -74.427783
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -149.765514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.765514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.765514 (E_RNA)
where:
Base-Base interactions energy: -80.646
where: short stacking energy: -41.033
Base-Backbone interact. energy: -0.454
local terms energy: -68.664824
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -11.152
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: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -148.090966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.090966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.090966 (E_RNA)
where:
Base-Base interactions energy: -77.920
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.140
local terms energy: -70.031673
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -5.185
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -192.884690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.884690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.884690 (E_RNA)
where:
Base-Base interactions energy: -119.119
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.926
local terms energy: -72.839053
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -11.992
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: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -102.226653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226653 (E_RNA)
where:
Base-Base interactions energy: -43.881
where: short stacking energy: -23.241
Base-Backbone interact. energy: -0.928
local terms energy: -57.417107
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -106.786223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.786223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.786223 (E_RNA)
where:
Base-Base interactions energy: -36.711
where: short stacking energy: -35.352
Base-Backbone interact. energy: -0.539
local terms energy: -69.536650
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.373
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: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -88.526025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.526025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.526025 (E_RNA)
where:
Base-Base interactions energy: -38.185
where: short stacking energy: -24.801
Base-Backbone interact. energy: 1.177
local terms energy: -51.517667
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -3.753
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -91.012463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.012463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.012463 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.170
local terms energy: -57.140412
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -3.273
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: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -181.005251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.005251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.005251 (E_RNA)
where:
Base-Base interactions energy: -98.661
where: short stacking energy: -52.887
Base-Backbone interact. energy: 0.085
local terms energy: -82.429060
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -140.409906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.409906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.409906 (E_RNA)
where:
Base-Base interactions energy: -62.367
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.123
local terms energy: -77.919956
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -206.939470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.939470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.939470 (E_RNA)
where:
Base-Base interactions energy: -128.008
where: short stacking energy: -68.376
Base-Backbone interact. energy: -0.227
local terms energy: -78.704719
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -12.445
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: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -150.032965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.032965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.032965 (E_RNA)
where:
Base-Base interactions energy: -77.177
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.023
local terms energy: -72.833100
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.918
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: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -223.044285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.044285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.044285 (E_RNA)
where:
Base-Base interactions energy: -137.640
where: short stacking energy: -80.441
Base-Backbone interact. energy: -0.007
local terms energy: -85.397946
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -164.886657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.886657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.886657 (E_RNA)
where:
Base-Base interactions energy: -97.549
where: short stacking energy: -44.111
Base-Backbone interact. energy: -0.479
local terms energy: -66.858334
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -19.419
flat angles C4'-P-C4' energy: -7.886
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -103.470336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.470336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.470336 (E_RNA)
where:
Base-Base interactions energy: -50.056
where: short stacking energy: -34.495
Base-Backbone interact. energy: -0.018
local terms energy: -53.396113
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -5.632
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: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -107.898131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.898131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.898131 (E_RNA)
where:
Base-Base interactions energy: -42.452
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.429
local terms energy: -65.017281
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -9.708
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -95.942384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.942384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.942384 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -17.590
Base-Backbone interact. energy: -1.790
local terms energy: -59.078494
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -86.771091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.771091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.771091 (E_RNA)
where:
Base-Base interactions energy: -31.050
where: short stacking energy: -29.904
Base-Backbone interact. energy: 1.821
local terms energy: -57.543027
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -188.142431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.142431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.142431 (E_RNA)
where:
Base-Base interactions energy: -108.721
where: short stacking energy: -56.203
Base-Backbone interact. energy: -0.579
local terms energy: -78.842568
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -15.095
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: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -225.699635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.699635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.699635 (E_RNA)
where:
Base-Base interactions energy: -143.895
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.000
local terms energy: -81.804652
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -141.297760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.297760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.297760 (E_RNA)
where:
Base-Base interactions energy: -56.487
where: short stacking energy: -56.487
Base-Backbone interact. energy: -0.011
local terms energy: -84.799637
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -211.801736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.801736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.801736 (E_RNA)
where:
Base-Base interactions energy: -129.822
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.269
local terms energy: -81.710481
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -138.075831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.075831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.075831 (E_RNA)
where:
Base-Base interactions energy: -66.583
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.432
local terms energy: -71.061114
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -154.084857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.084857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.084857 (E_RNA)
where:
Base-Base interactions energy: -89.405
where: short stacking energy: -44.500
Base-Backbone interact. energy: 0.838
local terms energy: -65.517835
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -6.785
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: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -93.122872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.122872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.122872 (E_RNA)
where:
Base-Base interactions energy: -26.406
where: short stacking energy: -26.268
Base-Backbone interact. energy: -0.380
local terms energy: -66.336356
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -88.776171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.776171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.776171 (E_RNA)
where:
Base-Base interactions energy: -38.318
where: short stacking energy: -29.842
Base-Backbone interact. energy: 0.476
local terms energy: -50.934454
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -96.176661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.176661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.176661 (E_RNA)
where:
Base-Base interactions energy: -42.066
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.109
local terms energy: -54.001235
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -96.513163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.513163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.513163 (E_RNA)
where:
Base-Base interactions energy: -43.758
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.219
local terms energy: -52.536073
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -11.464
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: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -234.690699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.690699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.690699 (E_RNA)
where:
Base-Base interactions energy: -150.431
where: short stacking energy: -68.459
Base-Backbone interact. energy: -0.928
local terms energy: -83.332107
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -173.079439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.079439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.079439 (E_RNA)
where:
Base-Base interactions energy: -114.068
where: short stacking energy: -44.609
Base-Backbone interact. energy: 0.075
local terms energy: -59.087187
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.809
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: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -214.965255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.965255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.965255 (E_RNA)
where:
Base-Base interactions energy: -128.634
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.464
local terms energy: -85.866965
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -150.913584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.913584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.913584 (E_RNA)
where:
Base-Base interactions energy: -85.777
where: short stacking energy: -53.963
Base-Backbone interact. energy: 0.666
local terms energy: -65.802561
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -183.195525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.195525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.195525 (E_RNA)
where:
Base-Base interactions energy: -111.520
where: short stacking energy: -58.156
Base-Backbone interact. energy: -1.207
local terms energy: -70.468331
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -12.212
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: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -123.162805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.162805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.162805 (E_RNA)
where:
Base-Base interactions energy: -57.229
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.250
local terms energy: -65.684161
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -10.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -97.471213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.471213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.471213 (E_RNA)
where:
Base-Base interactions energy: -33.595
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.245
local terms energy: -63.630876
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -6.716
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -107.455814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.455814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.455814 (E_RNA)
where:
Base-Base interactions energy: -36.500
where: short stacking energy: -34.105
Base-Backbone interact. energy: -0.085
local terms energy: -70.870899
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -11.195
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -91.056418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.056418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.056418 (E_RNA)
where:
Base-Base interactions energy: -31.070
where: short stacking energy: -28.652
Base-Backbone interact. energy: -0.190
local terms energy: -59.795993
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -88.991519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.991519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.991519 (E_RNA)
where:
Base-Base interactions energy: -37.595
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.344
local terms energy: -51.052049
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: 0.733
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: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -233.306935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.306935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.306935 (E_RNA)
where:
Base-Base interactions energy: -145.869
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.467
local terms energy: -86.971132
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -18.116
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: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -231.292147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.292147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.292147 (E_RNA)
where:
Base-Base interactions energy: -141.174
where: short stacking energy: -74.383
Base-Backbone interact. energy: -0.745
local terms energy: -89.373221
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -20.817
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: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -146.162383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.162383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.162383 (E_RNA)
where:
Base-Base interactions energy: -68.976
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.120
local terms energy: -77.066602
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -12.586
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: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -175.586886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.586886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.586886 (E_RNA)
where:
Base-Base interactions energy: -100.039
where: short stacking energy: -44.071
Base-Backbone interact. energy: -0.185
local terms energy: -75.362910
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -141.559172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.559172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.559172 (E_RNA)
where:
Base-Base interactions energy: -76.867
where: short stacking energy: -48.786
Base-Backbone interact. energy: -0.454
local terms energy: -64.237805
where:
bonds (distance) C4'-P energy: -8.008
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -10.314
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: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -124.217768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.217768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.217768 (E_RNA)
where:
Base-Base interactions energy: -59.612
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.197
local terms energy: -64.408291
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -12.296
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: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -119.266047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.266047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.266047 (E_RNA)
where:
Base-Base interactions energy: -43.944
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.191
local terms energy: -75.130930
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -98.842927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.842927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.842927 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.058
local terms energy: -65.832385
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -10.964
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: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -97.470124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.470124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.470124 (E_RNA)
where:
Base-Base interactions energy: -46.710
where: short stacking energy: -19.410
Base-Backbone interact. energy: -0.255
local terms energy: -50.504662
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.169
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: 9
Temperature: 1.350000
Total energy: -98.989957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.989957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.989957 (E_RNA)
where:
Base-Base interactions energy: -28.574
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.552
local terms energy: -69.864530
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -233.541855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.541855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.541855 (E_RNA)
where:
Base-Base interactions energy: -152.708
where: short stacking energy: -69.031
Base-Backbone interact. energy: -0.701
local terms energy: -80.132745
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -240.940755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.940755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.940755 (E_RNA)
where:
Base-Base interactions energy: -160.637
where: short stacking energy: -67.478
Base-Backbone interact. energy: -0.138
local terms energy: -80.165420
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -18.299
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: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -188.496863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.496863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.496863 (E_RNA)
where:
Base-Base interactions energy: -104.698
where: short stacking energy: -52.506
Base-Backbone interact. energy: -0.701
local terms energy: -83.097430
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -13.553
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: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -144.445077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.445077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.445077 (E_RNA)
where:
Base-Base interactions energy: -75.104
where: short stacking energy: -53.232
Base-Backbone interact. energy: -0.101
local terms energy: -69.240365
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -6.380
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: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -146.070608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.070608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.070608 (E_RNA)
where:
Base-Base interactions energy: -81.385
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.128
local terms energy: -64.556930
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -8.185
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: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -113.764970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.764970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.764970 (E_RNA)
where:
Base-Base interactions energy: -44.375
where: short stacking energy: -44.375
Base-Backbone interact. energy: -0.117
local terms energy: -69.273415
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -10.164
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: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -111.408341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.408341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.408341 (E_RNA)
where:
Base-Base interactions energy: -46.470
where: short stacking energy: -46.470
Base-Backbone interact. energy: -0.072
local terms energy: -64.866456
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -8.419
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: 10
Temperature: 1.250000
Total energy: -89.931903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.931903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.931903 (E_RNA)
where:
Base-Base interactions energy: -45.161
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.274
local terms energy: -44.496976
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -0.714
tors. eta vs tors. theta energy: -1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -89.792380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.792380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.792380 (E_RNA)
where:
Base-Base interactions energy: -29.577
where: short stacking energy: -27.103
Base-Backbone interact. energy: -0.147
local terms energy: -60.068542
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: 0.420
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: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -85.594347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.594347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.594347 (E_RNA)
where:
Base-Base interactions energy: -27.312
where: short stacking energy: -20.663
Base-Backbone interact. energy: 0.589
local terms energy: -58.871296
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -223.942375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.942375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.942375 (E_RNA)
where:
Base-Base interactions energy: -139.666
where: short stacking energy: -70.780
Base-Backbone interact. energy: -0.051
local terms energy: -84.225009
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -242.785660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.785660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.785660 (E_RNA)
where:
Base-Base interactions energy: -159.265
where: short stacking energy: -73.260
Base-Backbone interact. energy: -0.241
local terms energy: -83.280371
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -9.380
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: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -216.299641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299641 (E_RNA)
where:
Base-Base interactions energy: -138.310
where: short stacking energy: -60.181
Base-Backbone interact. energy: -0.053
local terms energy: -77.937336
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -11.855
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: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -137.652226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.652226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.652226 (E_RNA)
where:
Base-Base interactions energy: -64.794
where: short stacking energy: -48.346
Base-Backbone interact. energy: -0.140
local terms energy: -72.717531
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -130.376268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.376268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.376268 (E_RNA)
where:
Base-Base interactions energy: -62.115
where: short stacking energy: -39.800
Base-Backbone interact. energy: -0.736
local terms energy: -67.525274
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -7.694
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: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -100.024305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.024305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.024305 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -35.233
Base-Backbone interact. energy: -0.609
local terms energy: -59.973348
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -104.810641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.810641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.810641 (E_RNA)
where:
Base-Base interactions energy: -51.106
where: short stacking energy: -42.173
Base-Backbone interact. energy: 0.040
local terms energy: -53.744670
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -4.039
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -104.777067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.777067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.777067 (E_RNA)
where:
Base-Base interactions energy: -54.912
where: short stacking energy: -34.321
Base-Backbone interact. energy: 1.235
local terms energy: -51.099622
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -85.745699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.745699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.745699 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -24.239
Base-Backbone interact. energy: -0.703
local terms energy: -59.012122
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -122.441585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.441585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.441585 (E_RNA)
where:
Base-Base interactions energy: -62.268
where: short stacking energy: -25.543
Base-Backbone interact. energy: -0.507
local terms energy: -59.667038
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -12.645
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: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -244.219618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.219618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.219618 (E_RNA)
where:
Base-Base interactions energy: -154.856
where: short stacking energy: -75.865
Base-Backbone interact. energy: -0.052
local terms energy: -89.311761
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -17.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -230.530070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.530070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.530070 (E_RNA)
where:
Base-Base interactions energy: -148.419
where: short stacking energy: -70.860
Base-Backbone interact. energy: -0.110
local terms energy: -82.001102
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -20.589
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: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -212.666104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.666104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.666104 (E_RNA)
where:
Base-Base interactions energy: -133.804
where: short stacking energy: -60.855
Base-Backbone interact. energy: 0.049
local terms energy: -78.910536
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -8.368
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: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -169.507850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.507850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.507850 (E_RNA)
where:
Base-Base interactions energy: -97.349
where: short stacking energy: -53.003
Base-Backbone interact. energy: -0.121
local terms energy: -72.038115
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -11.882
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: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -175.711530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.711530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.711530 (E_RNA)
where:
Base-Base interactions energy: -95.705
where: short stacking energy: -53.148
Base-Backbone interact. energy: -0.169
local terms energy: -79.837570
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -106.109587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.109587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.109587 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -29.619
Base-Backbone interact. energy: 1.265
local terms energy: -72.547054
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -113.638815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.638815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.638815 (E_RNA)
where:
Base-Base interactions energy: -50.765
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.194
local terms energy: -62.679867
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -6.623
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: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -107.880681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.880681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.880681 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -40.470
Base-Backbone interact. energy: 1.146
local terms energy: -60.950022
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -133.310346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.310346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.310346 (E_RNA)
where:
Base-Base interactions energy: -77.303
where: short stacking energy: -37.202
Base-Backbone interact. energy: -1.025
local terms energy: -54.981802
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -87.867141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867141 (E_RNA)
where:
Base-Base interactions energy: -29.042
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.062
local terms energy: -58.762849
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -1.342
tors. eta vs tors. theta energy: -9.555
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: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -257.450312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.450312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.450312 (E_RNA)
where:
Base-Base interactions energy: -171.475
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.698
local terms energy: -85.276516
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -219.148287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.148287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.148287 (E_RNA)
where:
Base-Base interactions energy: -136.332
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.165
local terms energy: -82.650484
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -222.473993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.473993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.473993 (E_RNA)
where:
Base-Base interactions energy: -142.518
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.912
local terms energy: -79.043751
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -186.028309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.028309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.028309 (E_RNA)
where:
Base-Base interactions energy: -115.635
where: short stacking energy: -54.210
Base-Backbone interact. energy: -0.279
local terms energy: -70.114521
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -163.225215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.225215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.225215 (E_RNA)
where:
Base-Base interactions energy: -96.383
where: short stacking energy: -59.428
Base-Backbone interact. energy: 0.171
local terms energy: -67.012506
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -11.117
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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -113.664616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.664616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.664616 (E_RNA)
where:
Base-Base interactions energy: -37.675
where: short stacking energy: -37.675
Base-Backbone interact. energy: -0.057
local terms energy: -75.932927
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -125.136829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.136829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.136829 (E_RNA)
where:
Base-Base interactions energy: -53.134
where: short stacking energy: -35.834
Base-Backbone interact. energy: -1.076
local terms energy: -70.927211
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -92.906530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.906530 (E_RNA)
where:
Base-Base interactions energy: -38.938
where: short stacking energy: -33.393
Base-Backbone interact. energy: 1.450
local terms energy: -55.418561
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -90.269419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.269419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.269419 (E_RNA)
where:
Base-Base interactions energy: -29.962
where: short stacking energy: -29.169
Base-Backbone interact. energy: -1.241
local terms energy: -59.065889
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.012
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: 13
Temperature: 1.350000
Total energy: -90.871045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.871045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.871045 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -37.646
Base-Backbone interact. energy: -0.024
local terms energy: -53.200435
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -238.276266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.276266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.276266 (E_RNA)
where:
Base-Base interactions energy: -155.085
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.194
local terms energy: -82.997269
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -215.035628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.035628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.035628 (E_RNA)
where:
Base-Base interactions energy: -138.394
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.046
local terms energy: -76.595840
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -224.452735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.452735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.452735 (E_RNA)
where:
Base-Base interactions energy: -144.012
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.803
local terms energy: -79.637793
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -206.049818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.049818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.049818 (E_RNA)
where:
Base-Base interactions energy: -134.129
where: short stacking energy: -65.657
Base-Backbone interact. energy: -0.181
local terms energy: -71.740090
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -7.089
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: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -137.078426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.078426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.078426 (E_RNA)
where:
Base-Base interactions energy: -71.402
where: short stacking energy: -49.260
Base-Backbone interact. energy: -0.156
local terms energy: -65.520528
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -106.067468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.067468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.067468 (E_RNA)
where:
Base-Base interactions energy: -39.055
where: short stacking energy: -38.516
Base-Backbone interact. energy: -0.164
local terms energy: -66.847641
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -130.358564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.358564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.358564 (E_RNA)
where:
Base-Base interactions energy: -62.848
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.034
local terms energy: -67.475967
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.109
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: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -109.104637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.104637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.104637 (E_RNA)
where:
Base-Base interactions energy: -58.267
where: short stacking energy: -26.835
Base-Backbone interact. energy: -1.479
local terms energy: -49.358563
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -10.269
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: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -95.147398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.147398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.147398 (E_RNA)
where:
Base-Base interactions energy: -34.682
where: short stacking energy: -33.014
Base-Backbone interact. energy: 0.555
local terms energy: -61.020776
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -90.111565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111565 (E_RNA)
where:
Base-Base interactions energy: -37.062
where: short stacking energy: -37.265
Base-Backbone interact. energy: -0.073
local terms energy: -52.976117
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -6.086
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -227.455981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.455981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.455981 (E_RNA)
where:
Base-Base interactions energy: -142.944
where: short stacking energy: -53.167
Base-Backbone interact. energy: -0.327
local terms energy: -84.184574
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -18.946
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: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -224.720250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.720250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.720250 (E_RNA)
where:
Base-Base interactions energy: -141.559
where: short stacking energy: -71.091
Base-Backbone interact. energy: -0.062
local terms energy: -83.098809
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -21.945
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: 15
Temperature: 1.000000
Total energy: -209.673220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.673220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.673220 (E_RNA)
where:
Base-Base interactions energy: -129.374
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.326
local terms energy: -79.972509
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -212.304001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.304001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.304001 (E_RNA)
where:
Base-Base interactions energy: -136.268
where: short stacking energy: -62.044
Base-Backbone interact. energy: 0.881
local terms energy: -76.917149
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -21.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -145.611520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.611520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.611520 (E_RNA)
where:
Base-Base interactions energy: -70.251
where: short stacking energy: -57.376
Base-Backbone interact. energy: 0.600
local terms energy: -75.960407
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -107.785781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.785781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.785781 (E_RNA)
where:
Base-Base interactions energy: -48.816
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.107
local terms energy: -58.862635
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -119.635102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.635102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.635102 (E_RNA)
where:
Base-Base interactions energy: -58.454
where: short stacking energy: -44.968
Base-Backbone interact. energy: -0.300
local terms energy: -60.881252
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -95.076899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.076899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.076899 (E_RNA)
where:
Base-Base interactions energy: -42.432
where: short stacking energy: -42.432
Base-Backbone interact. energy: -0.280
local terms energy: -52.364529
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -4.117
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -93.861991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.861991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.861991 (E_RNA)
where:
Base-Base interactions energy: -29.132
where: short stacking energy: -25.033
Base-Backbone interact. energy: -0.114
local terms energy: -64.615374
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -89.898702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.898702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.898702 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -34.054
Base-Backbone interact. energy: -0.155
local terms energy: -54.983659
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -232.022301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022301 (E_RNA)
where:
Base-Base interactions energy: -141.427
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.683
local terms energy: -89.911865
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -232.845500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.845500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.845500 (E_RNA)
where:
Base-Base interactions energy: -143.140
where: short stacking energy: -72.098
Base-Backbone interact. energy: -1.416
local terms energy: -88.289981
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -224.055814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.055814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.055814 (E_RNA)
where:
Base-Base interactions energy: -153.390
where: short stacking energy: -74.026
Base-Backbone interact. energy: -0.255
local terms energy: -70.410906
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -198.780150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.780150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.780150 (E_RNA)
where:
Base-Base interactions energy: -117.925
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.164
local terms energy: -80.691870
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -15.236
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: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -133.706879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.706879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.706879 (E_RNA)
where:
Base-Base interactions energy: -60.950
where: short stacking energy: -48.249
Base-Backbone interact. energy: -0.003
local terms energy: -72.753185
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -102.899978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.899978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.899978 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -35.869
Base-Backbone interact. energy: 0.412
local terms energy: -67.442820
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -115.948973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.948973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.948973 (E_RNA)
where:
Base-Base interactions energy: -51.873
where: short stacking energy: -34.269
Base-Backbone interact. energy: -0.164
local terms energy: -63.912101
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -89.316617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.316617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.316617 (E_RNA)
where:
Base-Base interactions energy: -36.439
where: short stacking energy: -33.438
Base-Backbone interact. energy: -0.432
local terms energy: -52.445899
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: 0.702
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: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -84.624826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.624826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.624826 (E_RNA)
where:
Base-Base interactions energy: -23.062
where: short stacking energy: -23.062
Base-Backbone interact. energy: -0.107
local terms energy: -61.455898
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -11.284
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: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -86.365866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.365866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.365866 (E_RNA)
where:
Base-Base interactions energy: -23.961
where: short stacking energy: -23.808
Base-Backbone interact. energy: -0.124
local terms energy: -62.280714
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -5.773
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: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -230.610007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.610007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.610007 (E_RNA)
where:
Base-Base interactions energy: -148.619
where: short stacking energy: -83.208
Base-Backbone interact. energy: -1.039
local terms energy: -80.952086
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -225.263982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.263982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.263982 (E_RNA)
where:
Base-Base interactions energy: -136.490
where: short stacking energy: -67.021
Base-Backbone interact. energy: -0.244
local terms energy: -88.529880
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -22.627
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: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -211.669829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.669829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.669829 (E_RNA)
where:
Base-Base interactions energy: -131.169
where: short stacking energy: -63.488
Base-Backbone interact. energy: -0.637
local terms energy: -79.863661
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -11.780
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -206.881438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.881438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.881438 (E_RNA)
where:
Base-Base interactions energy: -127.029
where: short stacking energy: -64.765
Base-Backbone interact. energy: -0.079
local terms energy: -79.773711
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -130.405471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.405471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.405471 (E_RNA)
where:
Base-Base interactions energy: -63.154
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.450
local terms energy: -66.802148
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -14.214
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: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -122.832837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.832837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.832837 (E_RNA)
where:
Base-Base interactions energy: -62.739
where: short stacking energy: -46.367
Base-Backbone interact. energy: -0.157
local terms energy: -59.937109
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -6.179
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: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -104.885951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.885951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.885951 (E_RNA)
where:
Base-Base interactions energy: -45.884
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.092
local terms energy: -58.909231
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -92.269690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.269690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.269690 (E_RNA)
where:
Base-Base interactions energy: -30.621
where: short stacking energy: -26.850
Base-Backbone interact. energy: -0.549
local terms energy: -61.099237
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -4.484
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: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -90.060298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.060298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.060298 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -31.503
Base-Backbone interact. energy: -0.699
local terms energy: -57.859064
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -12.539
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: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -94.316463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.316463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.316463 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -22.630
Base-Backbone interact. energy: -0.104
local terms energy: -55.711775
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -227.584371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.584371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.584371 (E_RNA)
where:
Base-Base interactions energy: -138.444
where: short stacking energy: -71.010
Base-Backbone interact. energy: -1.138
local terms energy: -88.002981
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -12.346
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: 18
Temperature: 0.950000
Total energy: -225.415711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.415711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.415711 (E_RNA)
where:
Base-Base interactions energy: -140.547
where: short stacking energy: -75.620
Base-Backbone interact. energy: 2.308
local terms energy: -87.176224
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -21.106
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: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -208.269283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.269283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.269283 (E_RNA)
where:
Base-Base interactions energy: -126.588
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.023
local terms energy: -81.658512
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -201.212139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.212139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.212139 (E_RNA)
where:
Base-Base interactions energy: -127.661
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.225
local terms energy: -73.325490
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -158.457517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.457517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.457517 (E_RNA)
where:
Base-Base interactions energy: -83.799
where: short stacking energy: -51.363
Base-Backbone interact. energy: -0.063
local terms energy: -74.595845
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -11.184
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: 18
Temperature: 1.150000
Total energy: -117.896115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.896115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.896115 (E_RNA)
where:
Base-Base interactions energy: -57.802
where: short stacking energy: -42.508
Base-Backbone interact. energy: -0.201
local terms energy: -59.893264
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -101.938534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.938534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.938534 (E_RNA)
where:
Base-Base interactions energy: -45.664
where: short stacking energy: -45.062
Base-Backbone interact. energy: -0.021
local terms energy: -56.254355
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -2.291
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: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -95.029592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.029592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.029592 (E_RNA)
where:
Base-Base interactions energy: -35.546
where: short stacking energy: -28.095
Base-Backbone interact. energy: 0.285
local terms energy: -59.768528
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -91.465401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.465401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.465401 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -26.572
Base-Backbone interact. energy: -0.742
local terms energy: -59.567776
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -94.325404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.325404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.325404 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.148
local terms energy: -61.664798
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -5.279
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: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -229.988503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.988503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.988503 (E_RNA)
where:
Base-Base interactions energy: -150.755
where: short stacking energy: -67.525
Base-Backbone interact. energy: -0.070
local terms energy: -79.162923
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -15.623
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: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -221.675782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.675782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.675782 (E_RNA)
where:
Base-Base interactions energy: -138.385
where: short stacking energy: -77.746
Base-Backbone interact. energy: -0.500
local terms energy: -82.790813
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -19.871
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: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -214.701117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.701117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.701117 (E_RNA)
where:
Base-Base interactions energy: -134.944
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.149
local terms energy: -79.607714
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -203.232474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.232474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.232474 (E_RNA)
where:
Base-Base interactions energy: -131.845
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.028
local terms energy: -71.359161
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -137.550625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.550625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.550625 (E_RNA)
where:
Base-Base interactions energy: -70.485
where: short stacking energy: -54.783
Base-Backbone interact. energy: -0.016
local terms energy: -67.049766
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -99.478873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.478873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.478873 (E_RNA)
where:
Base-Base interactions energy: -39.527
where: short stacking energy: -29.114
Base-Backbone interact. energy: -0.490
local terms energy: -59.461969
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -7.446
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: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -111.548619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.548619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.548619 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -42.100
Base-Backbone interact. energy: -0.032
local terms energy: -69.416040
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -99.106494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.106494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.106494 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -30.340
Base-Backbone interact. energy: -1.391
local terms energy: -54.514972
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -115.492418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.492418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.492418 (E_RNA)
where:
Base-Base interactions energy: -57.497
where: short stacking energy: -37.197
Base-Backbone interact. energy: -0.141
local terms energy: -57.853978
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -8.768
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -83.326312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.326312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.326312 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.169
local terms energy: -54.969888
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -9.680
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: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -224.268641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.268641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.268641 (E_RNA)
where:
Base-Base interactions energy: -150.625
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.952
local terms energy: -72.691830
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -236.658702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.658702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.658702 (E_RNA)
where:
Base-Base interactions energy: -154.942
where: short stacking energy: -62.063
Base-Backbone interact. energy: -1.014
local terms energy: -80.703534
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -219.387721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.387721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.387721 (E_RNA)
where:
Base-Base interactions energy: -140.035
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.003
local terms energy: -79.349955
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -14.565
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: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -200.501508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.501508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.501508 (E_RNA)
where:
Base-Base interactions energy: -122.499
where: short stacking energy: -66.930
Base-Backbone interact. energy: -0.082
local terms energy: -77.920391
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -20.308
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: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -113.556638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.556638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.556638 (E_RNA)
where:
Base-Base interactions energy: -39.576
where: short stacking energy: -39.576
Base-Backbone interact. energy: -0.081
local terms energy: -73.899813
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -116.335746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.335746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.335746 (E_RNA)
where:
Base-Base interactions energy: -55.792
where: short stacking energy: -31.348
Base-Backbone interact. energy: -0.081
local terms energy: -60.463606
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: 4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -102.541087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.541087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.541087 (E_RNA)
where:
Base-Base interactions energy: -42.301
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.073
local terms energy: -60.166619
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -124.313757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.313757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.313757 (E_RNA)
where:
Base-Base interactions energy: -57.659
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.334
local terms energy: -66.320447
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -84.907825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.907825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.907825 (E_RNA)
where:
Base-Base interactions energy: -27.922
where: short stacking energy: -22.668
Base-Backbone interact. energy: -0.024
local terms energy: -56.961415
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: 3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -89.349902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.349902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.349902 (E_RNA)
where:
Base-Base interactions energy: -38.377
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.872
local terms energy: -50.101034
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -0.703
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: 21
Temperature: 0.900000
Total energy: -235.889815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.889815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.889815 (E_RNA)
where:
Base-Base interactions energy: -156.129
where: short stacking energy: -72.495
Base-Backbone interact. energy: -0.090
local terms energy: -79.671105
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -18.012
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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -234.041711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.041711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.041711 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.272
local terms energy: -78.697277
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -6.906
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: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -207.929939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.929939 (E_RNA)
where:
Base-Base interactions energy: -132.963
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.754
local terms energy: -74.213514
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -15.751
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: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -216.544623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544623 (E_RNA)
where:
Base-Base interactions energy: -142.892
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.021
local terms energy: -73.630948
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -16.808
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: 21
Temperature: 1.100000
Total energy: -114.714147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.714147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.714147 (E_RNA)
where:
Base-Base interactions energy: -46.443
where: short stacking energy: -41.927
Base-Backbone interact. energy: -0.040
local terms energy: -68.230790
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -106.494670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.494670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.494670 (E_RNA)
where:
Base-Base interactions energy: -44.384
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.116
local terms energy: -61.995028
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -3.943
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: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -110.080180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.080180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.080180 (E_RNA)
where:
Base-Base interactions energy: -56.309
where: short stacking energy: -37.710
Base-Backbone interact. energy: -0.154
local terms energy: -53.617586
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -94.717587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.717587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.717587 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.400
local terms energy: -59.629926
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: 1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -93.754009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754009 (E_RNA)
where:
Base-Base interactions energy: -30.750
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.118
local terms energy: -62.885665
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -11.593
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: 21
Temperature: 1.350000
Total energy: -89.731602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731602 (E_RNA)
where:
Base-Base interactions energy: -37.272
where: short stacking energy: -34.199
Base-Backbone interact. energy: 0.230
local terms energy: -52.689076
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -233.482728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.482728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.482728 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -80.914
Base-Backbone interact. energy: -0.114
local terms energy: -81.132590
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -230.739523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.739523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.739523 (E_RNA)
where:
Base-Base interactions energy: -150.769
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.103
local terms energy: -79.867396
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -17.836
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: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -212.246447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.246447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.246447 (E_RNA)
where:
Base-Base interactions energy: -130.565
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.593
local terms energy: -81.088299
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -192.466171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.466171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.466171 (E_RNA)
where:
Base-Base interactions energy: -111.601
where: short stacking energy: -55.092
Base-Backbone interact. energy: -1.152
local terms energy: -79.712498
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -124.802619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.802619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.802619 (E_RNA)
where:
Base-Base interactions energy: -52.223
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.322
local terms energy: -72.257646
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -9.654
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: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -113.135270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.135270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.135270 (E_RNA)
where:
Base-Base interactions energy: -47.794
where: short stacking energy: -47.794
Base-Backbone interact. energy: -0.225
local terms energy: -65.116406
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -11.950
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: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -139.020252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.020252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.020252 (E_RNA)
where:
Base-Base interactions energy: -68.934
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.595
local terms energy: -69.491768
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -98.902466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.902466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.902466 (E_RNA)
where:
Base-Base interactions energy: -48.547
where: short stacking energy: -34.712
Base-Backbone interact. energy: -0.636
local terms energy: -49.719913
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -7.117
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -102.772729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.772729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.772729 (E_RNA)
where:
Base-Base interactions energy: -43.508
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.024
local terms energy: -59.240909
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -85.534144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.534144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.534144 (E_RNA)
where:
Base-Base interactions energy: -36.885
where: short stacking energy: -25.144
Base-Backbone interact. energy: 0.327
local terms energy: -48.975398
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.252
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: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -239.066015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.066015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.066015 (E_RNA)
where:
Base-Base interactions energy: -152.151
where: short stacking energy: -75.879
Base-Backbone interact. energy: -0.004
local terms energy: -86.910498
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -229.229888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.229888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.229888 (E_RNA)
where:
Base-Base interactions energy: -146.206
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.264
local terms energy: -82.759590
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -213.771035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.771035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.771035 (E_RNA)
where:
Base-Base interactions energy: -132.080
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.306
local terms energy: -81.385107
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -204.759154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.759154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.759154 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -61.570
Base-Backbone interact. energy: -0.083
local terms energy: -76.116653
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -131.788323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.788323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.788323 (E_RNA)
where:
Base-Base interactions energy: -69.070
where: short stacking energy: -47.537
Base-Backbone interact. energy: 1.629
local terms energy: -64.347659
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -132.142213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.142213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.142213 (E_RNA)
where:
Base-Base interactions energy: -69.513
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.206
local terms energy: -62.423348
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -92.519552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.519552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.519552 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.409
local terms energy: -59.366259
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -103.182125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.182125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.182125 (E_RNA)
where:
Base-Base interactions energy: -47.955
where: short stacking energy: -27.700
Base-Backbone interact. energy: 1.303
local terms energy: -56.530024
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -91.110658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.110658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.110658 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -21.803
Base-Backbone interact. energy: 0.237
local terms energy: -53.590794
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -6.947
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: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -96.783395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.783395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.783395 (E_RNA)
where:
Base-Base interactions energy: -42.246
where: short stacking energy: -41.633
Base-Backbone interact. energy: -0.194
local terms energy: -54.343730
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -227.062902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.062902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.062902 (E_RNA)
where:
Base-Base interactions energy: -136.633
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.005
local terms energy: -90.424547
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -210.636215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.636215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.636215 (E_RNA)
where:
Base-Base interactions energy: -134.232
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.092
local terms energy: -76.312322
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -13.453
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: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -219.158929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.158929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.158929 (E_RNA)
where:
Base-Base interactions energy: -137.130
where: short stacking energy: -58.190
Base-Backbone interact. energy: -0.249
local terms energy: -81.779219
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -220.139656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.139656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.139656 (E_RNA)
where:
Base-Base interactions energy: -141.647
where: short stacking energy: -63.676
Base-Backbone interact. energy: -0.350
local terms energy: -78.143486
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -9.183
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: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -135.658172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.658172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.658172 (E_RNA)
where:
Base-Base interactions energy: -70.644
where: short stacking energy: -47.053
Base-Backbone interact. energy: 0.827
local terms energy: -65.840821
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -7.575
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: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -128.894980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.894980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.894980 (E_RNA)
where:
Base-Base interactions energy: -64.527
where: short stacking energy: -32.344
Base-Backbone interact. energy: 0.194
local terms energy: -64.561187
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -119.227139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.227139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.227139 (E_RNA)
where:
Base-Base interactions energy: -58.732
where: short stacking energy: -33.531
Base-Backbone interact. energy: -0.157
local terms energy: -60.338292
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.558
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: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -96.772209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.772209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.772209 (E_RNA)
where:
Base-Base interactions energy: -43.095
where: short stacking energy: -27.981
Base-Backbone interact. energy: -0.495
local terms energy: -53.181927
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -91.523874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.523874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.523874 (E_RNA)
where:
Base-Base interactions energy: -40.859
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.218
local terms energy: -50.447151
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -2.829
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -85.301699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301699 (E_RNA)
where:
Base-Base interactions energy: -29.497
where: short stacking energy: -20.470
Base-Backbone interact. energy: 0.168
local terms energy: -55.972790
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.314
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: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -231.895072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.895072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.895072 (E_RNA)
where:
Base-Base interactions energy: -138.790
where: short stacking energy: -77.087
Base-Backbone interact. energy: -0.024
local terms energy: -93.081043
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -22.665
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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -222.266095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.266095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.266095 (E_RNA)
where:
Base-Base interactions energy: -132.967
where: short stacking energy: -70.968
Base-Backbone interact. energy: -0.398
local terms energy: -88.901780
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -209.672800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.672800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.672800 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -68.393
Base-Backbone interact. energy: -0.026
local terms energy: -81.071663
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -16.702
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -220.138151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.138151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.138151 (E_RNA)
where:
Base-Base interactions energy: -130.375
where: short stacking energy: -64.590
Base-Backbone interact. energy: -0.136
local terms energy: -89.626629
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -127.265636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.265636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.265636 (E_RNA)
where:
Base-Base interactions energy: -57.370
where: short stacking energy: -41.061
Base-Backbone interact. energy: -0.552
local terms energy: -69.343207
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -14.436
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: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -117.768373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.768373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.768373 (E_RNA)
where:
Base-Base interactions energy: -50.671
where: short stacking energy: -40.257
Base-Backbone interact. energy: -0.135
local terms energy: -66.962715
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -7.826
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: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -111.701580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.701580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.701580 (E_RNA)
where:
Base-Base interactions energy: -44.002
where: short stacking energy: -43.888
Base-Backbone interact. energy: 0.016
local terms energy: -67.715295
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -9.555
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: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -99.332288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.332288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.332288 (E_RNA)
where:
Base-Base interactions energy: -37.271
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.036
local terms energy: -62.025606
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -92.779456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.779456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.779456 (E_RNA)
where:
Base-Base interactions energy: -39.515
where: short stacking energy: -23.389
Base-Backbone interact. energy: 0.033
local terms energy: -53.296671
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -6.880
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -6.856
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: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -85.482369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.482369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.482369 (E_RNA)
where:
Base-Base interactions energy: -32.110
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.290
local terms energy: -53.082427
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -218.562093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.562093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.562093 (E_RNA)
where:
Base-Base interactions energy: -134.128
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.806
local terms energy: -83.628501
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -221.884397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.884397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.884397 (E_RNA)
where:
Base-Base interactions energy: -137.691
where: short stacking energy: -75.296
Base-Backbone interact. energy: -0.195
local terms energy: -83.997731
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -19.809
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: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -207.521205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.521205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.521205 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -69.667
Base-Backbone interact. energy: -0.166
local terms energy: -75.698697
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -8.124
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: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -210.852590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.852590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.852590 (E_RNA)
where:
Base-Base interactions energy: -121.026
where: short stacking energy: -64.117
Base-Backbone interact. energy: -0.100
local terms energy: -89.726190
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -11.247
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: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -167.661195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.661195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.661195 (E_RNA)
where:
Base-Base interactions energy: -94.892
where: short stacking energy: -50.686
Base-Backbone interact. energy: -0.217
local terms energy: -72.552592
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -10.134
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: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -123.748288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.748288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.748288 (E_RNA)
where:
Base-Base interactions energy: -53.685
where: short stacking energy: -38.517
Base-Backbone interact. energy: -0.100
local terms energy: -69.963316
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -123.583564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.583564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.583564 (E_RNA)
where:
Base-Base interactions energy: -66.756
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.404
local terms energy: -56.422837
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -138.478776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.478776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.478776 (E_RNA)
where:
Base-Base interactions energy: -83.589
where: short stacking energy: -44.642
Base-Backbone interact. energy: -0.043
local terms energy: -54.846363
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -2.351
tors. eta vs tors. theta energy: -7.480
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: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -101.398529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398529 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -33.272
Base-Backbone interact. energy: 2.671
local terms energy: -61.676645
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -7.034
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: 26
Temperature: 1.350000
Total energy: -82.941555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.941555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.941555 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -27.110
Base-Backbone interact. energy: -0.053
local terms energy: -50.677467
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -7.935
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: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -226.052192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.052192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.052192 (E_RNA)
where:
Base-Base interactions energy: -141.330
where: short stacking energy: -64.679
Base-Backbone interact. energy: 0.639
local terms energy: -85.360801
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -219.230106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.230106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.230106 (E_RNA)
where:
Base-Base interactions energy: -142.001
where: short stacking energy: -65.551
Base-Backbone interact. energy: -0.687
local terms energy: -76.541332
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -213.952571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.952571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.952571 (E_RNA)
where:
Base-Base interactions energy: -131.335
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.410
local terms energy: -82.208200
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -182.000846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.000846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.000846 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -50.208
Base-Backbone interact. energy: -0.132
local terms energy: -79.023973
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -217.645436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.645436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.645436 (E_RNA)
where:
Base-Base interactions energy: -142.978
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.047
local terms energy: -74.620288
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -124.762816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.762816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.762816 (E_RNA)
where:
Base-Base interactions energy: -57.486
where: short stacking energy: -38.252
Base-Backbone interact. energy: -0.296
local terms energy: -66.981233
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -103.621103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.621103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.621103 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -37.286
Base-Backbone interact. energy: 0.583
local terms energy: -65.976358
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -1.312
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: 27
Temperature: 1.250000
Total energy: -180.018764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.018764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.018764 (E_RNA)
where:
Base-Base interactions energy: -107.876
where: short stacking energy: -43.209
Base-Backbone interact. energy: -0.859
local terms energy: -71.283963
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -99.530725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.530725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.530725 (E_RNA)
where:
Base-Base interactions energy: -39.518
where: short stacking energy: -37.408
Base-Backbone interact. energy: -0.119
local terms energy: -59.894025
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -5.231
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: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -93.773616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.773616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.773616 (E_RNA)
where:
Base-Base interactions energy: -39.311
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.008
local terms energy: -54.454555
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -4.726
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: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -233.219857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.219857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.219857 (E_RNA)
where:
Base-Base interactions energy: -147.570
where: short stacking energy: -71.426
Base-Backbone interact. energy: -0.015
local terms energy: -85.634329
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -228.072420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.072420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.072420 (E_RNA)
where:
Base-Base interactions energy: -155.963
where: short stacking energy: -70.928
Base-Backbone interact. energy: -0.101
local terms energy: -72.008467
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -6.305
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -226.138548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.138548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.138548 (E_RNA)
where:
Base-Base interactions energy: -143.698
where: short stacking energy: -65.169
Base-Backbone interact. energy: -0.009
local terms energy: -82.431350
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -156.327750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.327750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.327750 (E_RNA)
where:
Base-Base interactions energy: -90.846
where: short stacking energy: -48.499
Base-Backbone interact. energy: -1.044
local terms energy: -64.436930
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -6.739
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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -207.396003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.396003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.396003 (E_RNA)
where:
Base-Base interactions energy: -131.412
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.010
local terms energy: -75.974022
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -118.399405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.399405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.399405 (E_RNA)
where:
Base-Base interactions energy: -63.279
where: short stacking energy: -35.878
Base-Backbone interact. energy: -0.049
local terms energy: -55.072270
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.248
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: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -180.094078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.094078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.094078 (E_RNA)
where:
Base-Base interactions energy: -107.627
where: short stacking energy: -49.177
Base-Backbone interact. energy: 0.451
local terms energy: -72.917360
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -13.196
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -98.984494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.984494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.984494 (E_RNA)
where:
Base-Base interactions energy: -42.099
where: short stacking energy: -21.318
Base-Backbone interact. energy: -0.355
local terms energy: -56.531249
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -94.686562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.686562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.686562 (E_RNA)
where:
Base-Base interactions energy: -34.504
where: short stacking energy: -32.410
Base-Backbone interact. energy: 0.281
local terms energy: -60.463973
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -84.404089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.404089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.404089 (E_RNA)
where:
Base-Base interactions energy: -41.732
where: short stacking energy: -23.431
Base-Backbone interact. energy: -0.260
local terms energy: -42.412012
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: 1.599
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: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -234.666815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.666815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.666815 (E_RNA)
where:
Base-Base interactions energy: -145.997
where: short stacking energy: -76.568
Base-Backbone interact. energy: -1.889
local terms energy: -86.780806
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -22.949
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: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -226.824131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.824131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.824131 (E_RNA)
where:
Base-Base interactions energy: -141.578
where: short stacking energy: -68.082
Base-Backbone interact. energy: -0.227
local terms energy: -85.019378
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -19.608
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: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -234.185607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.185607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.185607 (E_RNA)
where:
Base-Base interactions energy: -148.543
where: short stacking energy: -70.304
Base-Backbone interact. energy: -0.224
local terms energy: -85.417953
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -222.412686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.412686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.412686 (E_RNA)
where:
Base-Base interactions energy: -134.200
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.314
local terms energy: -87.898218
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -171.842441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.842441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.842441 (E_RNA)
where:
Base-Base interactions energy: -108.874
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.644
local terms energy: -62.323812
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -11.554
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: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -186.831194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.831194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.831194 (E_RNA)
where:
Base-Base interactions energy: -111.251
where: short stacking energy: -59.686
Base-Backbone interact. energy: -0.123
local terms energy: -75.456812
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -18.655
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: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -118.088123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.088123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.088123 (E_RNA)
where:
Base-Base interactions energy: -56.402
where: short stacking energy: -35.357
Base-Backbone interact. energy: -0.099
local terms energy: -61.586546
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -116.553224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.553224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.553224 (E_RNA)
where:
Base-Base interactions energy: -53.016
where: short stacking energy: -42.610
Base-Backbone interact. energy: -0.151
local terms energy: -63.385811
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -8.986
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: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -126.675249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.675249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.675249 (E_RNA)
where:
Base-Base interactions energy: -64.800
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.361
local terms energy: -61.514235
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -80.528157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.528157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.528157 (E_RNA)
where:
Base-Base interactions energy: -27.370
where: short stacking energy: -25.511
Base-Backbone interact. energy: -0.568
local terms energy: -52.590328
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -223.593010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.593010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.593010 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -75.543
Base-Backbone interact. energy: -0.017
local terms energy: -86.719566
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -22.482
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: 30
Temperature: 0.950000
Total energy: -220.551452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.551452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.551452 (E_RNA)
where:
Base-Base interactions energy: -141.465
where: short stacking energy: -71.980
Base-Backbone interact. energy: -1.121
local terms energy: -77.965973
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.205
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -221.551292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.551292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.551292 (E_RNA)
where:
Base-Base interactions energy: -138.981
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.429
local terms energy: -82.140607
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -18.457
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: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -207.157596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.157596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.157596 (E_RNA)
where:
Base-Base interactions energy: -130.345
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.067
local terms energy: -76.744880
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -10.887
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: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -200.766473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.766473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.766473 (E_RNA)
where:
Base-Base interactions energy: -127.351
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.691
local terms energy: -72.723744
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -197.721186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.721186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.721186 (E_RNA)
where:
Base-Base interactions energy: -121.572
where: short stacking energy: -64.183
Base-Backbone interact. energy: -0.056
local terms energy: -76.093492
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -9.314
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: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -107.525892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.525892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.525892 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -34.857
Base-Backbone interact. energy: -0.100
local terms energy: -64.667938
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -5.873
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: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -109.943067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.943067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.943067 (E_RNA)
where:
Base-Base interactions energy: -54.308
where: short stacking energy: -39.535
Base-Backbone interact. energy: -0.547
local terms energy: -55.087645
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -6.425
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -91.466703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.466703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.466703 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -24.952
Base-Backbone interact. energy: -0.235
local terms energy: -53.785297
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -96.978693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.978693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.978693 (E_RNA)
where:
Base-Base interactions energy: -31.581
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.727
local terms energy: -64.670162
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -232.224046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.224046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.224046 (E_RNA)
where:
Base-Base interactions energy: -149.354
where: short stacking energy: -75.647
Base-Backbone interact. energy: -0.731
local terms energy: -82.139047
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -19.396
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: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -227.046256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.046256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.046256 (E_RNA)
where:
Base-Base interactions energy: -137.387
where: short stacking energy: -76.634
Base-Backbone interact. energy: -0.089
local terms energy: -89.570347
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -211.503564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.503564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.503564 (E_RNA)
where:
Base-Base interactions energy: -125.609
where: short stacking energy: -62.530
Base-Backbone interact. energy: -0.100
local terms energy: -85.794931
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -209.157863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.157863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.157863 (E_RNA)
where:
Base-Base interactions energy: -126.972
where: short stacking energy: -58.290
Base-Backbone interact. energy: -0.056
local terms energy: -82.129899
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -15.320
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: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -187.052200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.052200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.052200 (E_RNA)
where:
Base-Base interactions energy: -121.024
where: short stacking energy: -51.328
Base-Backbone interact. energy: -0.042
local terms energy: -65.985813
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -186.413187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.413187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.413187 (E_RNA)
where:
Base-Base interactions energy: -110.459
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.115
local terms energy: -75.839447
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -8.346
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: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -95.793559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.793559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.793559 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.365
local terms energy: -65.790758
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -109.384656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.384656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.384656 (E_RNA)
where:
Base-Base interactions energy: -51.050
where: short stacking energy: -30.414
Base-Backbone interact. energy: -1.346
local terms energy: -56.988478
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -106.562820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.562820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.562820 (E_RNA)
where:
Base-Base interactions energy: -53.965
where: short stacking energy: -34.773
Base-Backbone interact. energy: -1.141
local terms energy: -51.456353
where:
bonds (distance) C4'-P energy: -5.904
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -5.395
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: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -87.842864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.842864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.842864 (E_RNA)
where:
Base-Base interactions energy: -40.885
where: short stacking energy: -36.539
Base-Backbone interact. energy: -0.430
local terms energy: -46.527309
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -2.402
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -229.561893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.561893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.561893 (E_RNA)
where:
Base-Base interactions energy: -135.165
where: short stacking energy: -75.105
Base-Backbone interact. energy: -0.425
local terms energy: -93.971204
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -24.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -223.571616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.571616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.571616 (E_RNA)
where:
Base-Base interactions energy: -146.107
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.138
local terms energy: -77.326176
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -209.621318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.621318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.621318 (E_RNA)
where:
Base-Base interactions energy: -131.143
where: short stacking energy: -70.440
Base-Backbone interact. energy: -1.068
local terms energy: -77.410498
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -15.094
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: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -214.075338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.075338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.075338 (E_RNA)
where:
Base-Base interactions energy: -136.264
where: short stacking energy: -68.713
Base-Backbone interact. energy: 0.084
local terms energy: -77.896125
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -205.788124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788124 (E_RNA)
where:
Base-Base interactions energy: -128.195
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.240
local terms energy: -77.353315
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -196.147965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.147965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.147965 (E_RNA)
where:
Base-Base interactions energy: -128.067
where: short stacking energy: -64.962
Base-Backbone interact. energy: -1.498
local terms energy: -66.583035
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -10.410
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: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -104.040833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.040833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.040833 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -34.891
Base-Backbone interact. energy: -0.035
local terms energy: -64.766870
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -101.553716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.553716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.553716 (E_RNA)
where:
Base-Base interactions energy: -43.560
where: short stacking energy: -29.674
Base-Backbone interact. energy: -1.277
local terms energy: -56.716566
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -93.304728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.304728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.304728 (E_RNA)
where:
Base-Base interactions energy: -33.965
where: short stacking energy: -33.229
Base-Backbone interact. energy: -0.289
local terms energy: -59.050892
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -88.894282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.894282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.894282 (E_RNA)
where:
Base-Base interactions energy: -25.852
where: short stacking energy: -25.852
Base-Backbone interact. energy: -0.417
local terms energy: -62.624527
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -229.314783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.314783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.314783 (E_RNA)
where:
Base-Base interactions energy: -155.370
where: short stacking energy: -54.692
Base-Backbone interact. energy: -2.225
local terms energy: -71.719619
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -7.477
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: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -221.818923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.818923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.818923 (E_RNA)
where:
Base-Base interactions energy: -132.277
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.090
local terms energy: -89.451895
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -13.901
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: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -204.708831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.708831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.708831 (E_RNA)
where:
Base-Base interactions energy: -130.246
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.664
local terms energy: -73.799014
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -12.848
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: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -213.607949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.607949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.607949 (E_RNA)
where:
Base-Base interactions energy: -146.123
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.401
local terms energy: -67.083889
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -217.376097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.376097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.376097 (E_RNA)
where:
Base-Base interactions energy: -138.974
where: short stacking energy: -68.042
Base-Backbone interact. energy: 0.515
local terms energy: -78.917314
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -196.351889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.351889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.351889 (E_RNA)
where:
Base-Base interactions energy: -125.729
where: short stacking energy: -51.203
Base-Backbone interact. energy: -0.433
local terms energy: -70.190223
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -97.154675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.154675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.154675 (E_RNA)
where:
Base-Base interactions energy: -43.972
where: short stacking energy: -22.119
Base-Backbone interact. energy: -0.624
local terms energy: -52.558921
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -110.534356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.534356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.534356 (E_RNA)
where:
Base-Base interactions energy: -51.008
where: short stacking energy: -29.444
Base-Backbone interact. energy: -0.358
local terms energy: -59.168255
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -109.914477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.914477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.914477 (E_RNA)
where:
Base-Base interactions energy: -49.200
where: short stacking energy: -39.849
Base-Backbone interact. energy: -0.092
local terms energy: -60.622041
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -8.449
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: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -81.873123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.873123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.873123 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -27.637
Base-Backbone interact. energy: -1.804
local terms energy: -51.062552
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -244.489861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.489861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.489861 (E_RNA)
where:
Base-Base interactions energy: -160.648
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.694
local terms energy: -83.148011
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -12.157
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: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -218.410533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.410533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.410533 (E_RNA)
where:
Base-Base interactions energy: -130.422
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.485
local terms energy: -87.503026
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -221.672643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.672643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.672643 (E_RNA)
where:
Base-Base interactions energy: -135.724
where: short stacking energy: -69.163
Base-Backbone interact. energy: -0.051
local terms energy: -85.898092
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -18.516
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -206.151309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.151309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.151309 (E_RNA)
where:
Base-Base interactions energy: -122.159
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.018
local terms energy: -83.974335
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -205.703877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.703877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.703877 (E_RNA)
where:
Base-Base interactions energy: -130.268
where: short stacking energy: -59.897
Base-Backbone interact. energy: -0.019
local terms energy: -75.416398
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -9.333
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: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -203.611260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.611260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.611260 (E_RNA)
where:
Base-Base interactions energy: -124.236
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.129
local terms energy: -79.246120
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -13.329
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: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -123.612739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.612739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.612739 (E_RNA)
where:
Base-Base interactions energy: -56.123
where: short stacking energy: -43.677
Base-Backbone interact. energy: -0.154
local terms energy: -67.334977
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -11.934
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -109.327051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.327051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.327051 (E_RNA)
where:
Base-Base interactions energy: -53.126
where: short stacking energy: -40.050
Base-Backbone interact. energy: 0.395
local terms energy: -56.596661
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -8.172
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -91.958526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958526 (E_RNA)
where:
Base-Base interactions energy: -41.605
where: short stacking energy: -25.770
Base-Backbone interact. energy: -0.083
local terms energy: -50.270520
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -77.378572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.378572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.378572 (E_RNA)
where:
Base-Base interactions energy: -21.633
where: short stacking energy: -21.633
Base-Backbone interact. energy: -0.096
local terms energy: -55.649515
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -237.021056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.021056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.021056 (E_RNA)
where:
Base-Base interactions energy: -149.352
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.050
local terms energy: -87.619704
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -20.452
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: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -229.313954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.313954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.313954 (E_RNA)
where:
Base-Base interactions energy: -141.644
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.047
local terms energy: -87.622834
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -19.133
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: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -217.292286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.292286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.292286 (E_RNA)
where:
Base-Base interactions energy: -128.181
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.012
local terms energy: -89.099253
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -215.638103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.638103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.638103 (E_RNA)
where:
Base-Base interactions energy: -135.638
where: short stacking energy: -66.975
Base-Backbone interact. energy: -0.614
local terms energy: -79.386198
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -214.425028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.425028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.425028 (E_RNA)
where:
Base-Base interactions energy: -140.251
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.335
local terms energy: -73.839287
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -192.525325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.525325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.525325 (E_RNA)
where:
Base-Base interactions energy: -116.618
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.170
local terms energy: -75.736609
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -13.018
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: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -113.153983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.153983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.153983 (E_RNA)
where:
Base-Base interactions energy: -46.132
where: short stacking energy: -35.575
Base-Backbone interact. energy: -0.139
local terms energy: -66.883026
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -6.188
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: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -92.354068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.354068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.354068 (E_RNA)
where:
Base-Base interactions energy: -30.315
where: short stacking energy: -25.996
Base-Backbone interact. energy: -0.092
local terms energy: -61.947182
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -92.839723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.839723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.839723 (E_RNA)
where:
Base-Base interactions energy: -29.557
where: short stacking energy: -28.331
Base-Backbone interact. energy: -0.095
local terms energy: -63.187786
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -118.784534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.784534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.784534 (E_RNA)
where:
Base-Base interactions energy: -68.075
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.010
local terms energy: -50.700394
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -9.325
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -243.136151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.136151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.136151 (E_RNA)
where:
Base-Base interactions energy: -161.832
where: short stacking energy: -69.450
Base-Backbone interact. energy: -1.046
local terms energy: -80.257592
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -16.033
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -229.062748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.062748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.062748 (E_RNA)
where:
Base-Base interactions energy: -140.242
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.168
local terms energy: -88.652221
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -21.265
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: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -212.929534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.929534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.929534 (E_RNA)
where:
Base-Base interactions energy: -125.666
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.221
local terms energy: -87.042657
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -18.818
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: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -213.947476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.947476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.947476 (E_RNA)
where:
Base-Base interactions energy: -132.835
where: short stacking energy: -62.811
Base-Backbone interact. energy: -0.463
local terms energy: -80.650025
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -18.695
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: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -200.916067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.916067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.916067 (E_RNA)
where:
Base-Base interactions energy: -116.238
where: short stacking energy: -54.153
Base-Backbone interact. energy: -0.351
local terms energy: -84.327161
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -195.280523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.280523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.280523 (E_RNA)
where:
Base-Base interactions energy: -112.171
where: short stacking energy: -48.715
Base-Backbone interact. energy: -0.157
local terms energy: -82.953033
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -92.066334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.066334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.066334 (E_RNA)
where:
Base-Base interactions energy: -42.925
where: short stacking energy: -17.088
Base-Backbone interact. energy: -0.389
local terms energy: -48.752597
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: 3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -96.122753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.122753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.122753 (E_RNA)
where:
Base-Base interactions energy: -39.131
where: short stacking energy: -27.668
Base-Backbone interact. energy: -0.230
local terms energy: -56.761965
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -91.482881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.482881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.482881 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -26.098
Base-Backbone interact. energy: -0.368
local terms energy: -62.953481
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -3.831
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: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -91.669833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.669833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.669833 (E_RNA)
where:
Base-Base interactions energy: -35.390
where: short stacking energy: -23.280
Base-Backbone interact. energy: -0.589
local terms energy: -55.690484
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -0.016
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: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -233.889958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.889958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.889958 (E_RNA)
where:
Base-Base interactions energy: -152.902
where: short stacking energy: -76.828
Base-Backbone interact. energy: -0.137
local terms energy: -80.850926
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -15.051
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: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -223.545223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.545223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.545223 (E_RNA)
where:
Base-Base interactions energy: -143.594
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.665
local terms energy: -79.286115
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -204.940887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.940887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.940887 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -52.601
Base-Backbone interact. energy: -0.661
local terms energy: -75.929485
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -11.461
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: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -204.294848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.294848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.294848 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.831
local terms energy: -82.403069
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -18.229
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: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -208.328157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.328157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.328157 (E_RNA)
where:
Base-Base interactions energy: -140.920
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.406
local terms energy: -67.002109
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -190.570300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.570300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.570300 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -56.639
Base-Backbone interact. energy: -0.107
local terms energy: -71.818446
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -10.350
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: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -114.398854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.398854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.398854 (E_RNA)
where:
Base-Base interactions energy: -64.047
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.529
local terms energy: -49.823220
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -7.248
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: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -93.899102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.899102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.899102 (E_RNA)
where:
Base-Base interactions energy: -42.774
where: short stacking energy: -28.138
Base-Backbone interact. energy: -0.045
local terms energy: -51.080599
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: 2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -97.286804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.286804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.286804 (E_RNA)
where:
Base-Base interactions energy: -37.209
where: short stacking energy: -37.209
Base-Backbone interact. energy: 0.896
local terms energy: -60.973872
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -9.779
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: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -85.051726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.051726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.051726 (E_RNA)
where:
Base-Base interactions energy: -30.794
where: short stacking energy: -26.752
Base-Backbone interact. energy: -0.331
local terms energy: -53.926400
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: 0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -229.486811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.486811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.486811 (E_RNA)
where:
Base-Base interactions energy: -147.893
where: short stacking energy: -79.661
Base-Backbone interact. energy: 1.444
local terms energy: -83.037700
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -221.159407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.159407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.159407 (E_RNA)
where:
Base-Base interactions energy: -145.926
where: short stacking energy: -56.608
Base-Backbone interact. energy: -0.599
local terms energy: -74.634836
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -13.257
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: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -214.574444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.574444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.574444 (E_RNA)
where:
Base-Base interactions energy: -134.253
where: short stacking energy: -62.650
Base-Backbone interact. energy: -1.357
local terms energy: -78.964539
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -216.751771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.751771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.751771 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -69.760
Base-Backbone interact. energy: -0.682
local terms energy: -74.067408
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -18.365
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: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -202.214034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.214034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.214034 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.435
local terms energy: -69.278026
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -8.000
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: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -202.727686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.727686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.727686 (E_RNA)
where:
Base-Base interactions energy: -124.439
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.473
local terms energy: -77.815734
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -102.290546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.290546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.290546 (E_RNA)
where:
Base-Base interactions energy: -40.694
where: short stacking energy: -34.899
Base-Backbone interact. energy: -0.100
local terms energy: -61.496154
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -6.272
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: 38
Temperature: 1.250000
Total energy: -102.533695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.533695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.533695 (E_RNA)
where:
Base-Base interactions energy: -44.691
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.276
local terms energy: -57.566898
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -96.527580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.527580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.527580 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -27.814
Base-Backbone interact. energy: -0.722
local terms energy: -57.785069
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: 3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -83.845903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.845903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.845903 (E_RNA)
where:
Base-Base interactions energy: -32.206
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.070
local terms energy: -51.570274
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: 3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -230.983747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.983747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.983747 (E_RNA)
where:
Base-Base interactions energy: -139.736
where: short stacking energy: -76.467
Base-Backbone interact. energy: -0.178
local terms energy: -91.069162
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -229.204898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.204898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.204898 (E_RNA)
where:
Base-Base interactions energy: -149.390
where: short stacking energy: -63.721
Base-Backbone interact. energy: -1.106
local terms energy: -78.709564
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -211.958645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.958645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.958645 (E_RNA)
where:
Base-Base interactions energy: -131.100
where: short stacking energy: -69.028
Base-Backbone interact. energy: -0.141
local terms energy: -80.717284
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -20.267
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: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -218.373053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.373053 (E_RNA)
where:
Base-Base interactions energy: -126.053
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.017
local terms energy: -92.303333
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -201.827896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.827896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.827896 (E_RNA)
where:
Base-Base interactions energy: -136.029
where: short stacking energy: -52.141
Base-Backbone interact. energy: -0.550
local terms energy: -65.248454
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -200.640262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.640262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.640262 (E_RNA)
where:
Base-Base interactions energy: -117.857
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.418
local terms energy: -82.365177
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -103.981253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.981253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.981253 (E_RNA)
where:
Base-Base interactions energy: -42.547
where: short stacking energy: -34.500
Base-Backbone interact. energy: -0.403
local terms energy: -61.031051
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.303
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: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -94.020296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.020296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.020296 (E_RNA)
where:
Base-Base interactions energy: -36.997
where: short stacking energy: -25.749
Base-Backbone interact. energy: -0.625
local terms energy: -56.397960
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -100.486118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.486118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.486118 (E_RNA)
where:
Base-Base interactions energy: -45.732
where: short stacking energy: -24.209
Base-Backbone interact. energy: -0.394
local terms energy: -54.359920
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -82.302343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.302343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.302343 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -28.975
Base-Backbone interact. energy: -0.122
local terms energy: -45.056151
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -248.236710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.236710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.236710 (E_RNA)
where:
Base-Base interactions energy: -171.465
where: short stacking energy: -73.738
Base-Backbone interact. energy: -0.521
local terms energy: -76.250436
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -15.141
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: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -229.322575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.322575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.322575 (E_RNA)
where:
Base-Base interactions energy: -151.041
where: short stacking energy: -82.523
Base-Backbone interact. energy: -0.012
local terms energy: -78.269061
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -213.184067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.184067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.184067 (E_RNA)
where:
Base-Base interactions energy: -131.840
where: short stacking energy: -51.316
Base-Backbone interact. energy: -0.265
local terms energy: -81.079493
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -16.377
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -225.971663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.971663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.971663 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -80.530
Base-Backbone interact. energy: -0.203
local terms energy: -90.194474
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -22.258
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: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -207.408720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.408720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.408720 (E_RNA)
where:
Base-Base interactions energy: -147.092
where: short stacking energy: -59.771
Base-Backbone interact. energy: -0.224
local terms energy: -60.092399
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -197.667384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.667384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.667384 (E_RNA)
where:
Base-Base interactions energy: -114.566
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.015
local terms energy: -83.086116
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -117.011624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.011624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.011624 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -34.771
Base-Backbone interact. energy: -0.065
local terms energy: -72.752237
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -95.091864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.091864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.091864 (E_RNA)
where:
Base-Base interactions energy: -36.575
where: short stacking energy: -30.140
Base-Backbone interact. energy: 3.243
local terms energy: -61.760464
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: 1.465
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -87.791299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.791299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.791299 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -30.287
Base-Backbone interact. energy: -0.463
local terms energy: -49.611933
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -7.621
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: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -82.243124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.243124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.243124 (E_RNA)
where:
Base-Base interactions energy: -28.117
where: short stacking energy: -27.896
Base-Backbone interact. energy: 0.893
local terms energy: -55.018705
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -0.323
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -249.507341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.507341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.507341 (E_RNA)
where:
Base-Base interactions energy: -168.015
where: short stacking energy: -75.032
Base-Backbone interact. energy: -0.162
local terms energy: -81.330514
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -19.228
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: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -233.055651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.055651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.055651 (E_RNA)
where:
Base-Base interactions energy: -155.249
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.205
local terms energy: -77.601825
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -233.968049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.968049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.968049 (E_RNA)
where:
Base-Base interactions energy: -154.328
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.456
local terms energy: -79.183912
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -221.407610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.407610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.407610 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.942
local terms energy: -81.468594
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -200.547197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.547197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.547197 (E_RNA)
where:
Base-Base interactions energy: -130.662
where: short stacking energy: -63.944
Base-Backbone interact. energy: -0.593
local terms energy: -69.293005
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -15.586
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: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -207.558125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.558125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.558125 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.763
local terms energy: -73.040066
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -121.440289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.440289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.440289 (E_RNA)
where:
Base-Base interactions energy: -58.366
where: short stacking energy: -47.466
Base-Backbone interact. energy: -0.111
local terms energy: -62.963083
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -96.949089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.949089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.949089 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -32.880
Base-Backbone interact. energy: -0.317
local terms energy: -53.123426
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -10.977
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: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -89.685089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.685089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.685089 (E_RNA)
where:
Base-Base interactions energy: -45.156
where: short stacking energy: -42.631
Base-Backbone interact. energy: -0.088
local terms energy: -44.440662
where:
bonds (distance) C4'-P energy: 0.295
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -91.403364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.403364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.403364 (E_RNA)
where:
Base-Base interactions energy: -48.341
where: short stacking energy: -18.056
Base-Backbone interact. energy: -0.213
local terms energy: -42.850124
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: 2.555
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -241.025834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.025834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.025834 (E_RNA)
where:
Base-Base interactions energy: -150.254
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.246
local terms energy: -90.526260
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -240.146215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.146215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.146215 (E_RNA)
where:
Base-Base interactions energy: -150.471
where: short stacking energy: -72.685
Base-Backbone interact. energy: -0.158
local terms energy: -89.516771
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -21.377
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: 42
Temperature: 1.000000
Total energy: -228.589955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.589955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.589955 (E_RNA)
where:
Base-Base interactions energy: -150.069
where: short stacking energy: -72.082
Base-Backbone interact. energy: 0.573
local terms energy: -79.093997
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -218.119262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.119262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.119262 (E_RNA)
where:
Base-Base interactions energy: -139.543
where: short stacking energy: -61.339
Base-Backbone interact. energy: -0.326
local terms energy: -78.250179
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -14.498
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: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -206.904328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.904328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.904328 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.032
local terms energy: -80.528680
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -193.048271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.048271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.048271 (E_RNA)
where:
Base-Base interactions energy: -115.159
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.067
local terms energy: -77.822512
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -98.389482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.389482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.389482 (E_RNA)
where:
Base-Base interactions energy: -41.940
where: short stacking energy: -37.210
Base-Backbone interact. energy: -0.167
local terms energy: -56.282252
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -122.115271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.115271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.115271 (E_RNA)
where:
Base-Base interactions energy: -67.931
where: short stacking energy: -28.836
Base-Backbone interact. energy: -0.695
local terms energy: -53.489140
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -0.762
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: 42
Temperature: 1.300000
Total energy: -102.694748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.694748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.694748 (E_RNA)
where:
Base-Base interactions energy: -43.314
where: short stacking energy: -23.371
Base-Backbone interact. energy: -0.150
local terms energy: -59.230677
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -10.205
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: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -85.559987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.559987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.559987 (E_RNA)
where:
Base-Base interactions energy: -20.628
where: short stacking energy: -20.405
Base-Backbone interact. energy: -0.107
local terms energy: -64.825564
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -242.870784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.870784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.870784 (E_RNA)
where:
Base-Base interactions energy: -149.568
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.514
local terms energy: -92.789203
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -224.534984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.534984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.534984 (E_RNA)
where:
Base-Base interactions energy: -149.374
where: short stacking energy: -57.725
Base-Backbone interact. energy: -0.496
local terms energy: -74.664731
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -20.547
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -231.044028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.044028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.044028 (E_RNA)
where:
Base-Base interactions energy: -143.932
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.001
local terms energy: -87.111300
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -207.203391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.203391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.203391 (E_RNA)
where:
Base-Base interactions energy: -130.529
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.132
local terms energy: -76.542292
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -204.506186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.506186 (E_RNA)
where:
Base-Base interactions energy: -128.498
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.393
local terms energy: -75.614671
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -14.517
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: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -187.965902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.965902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.965902 (E_RNA)
where:
Base-Base interactions energy: -112.376
where: short stacking energy: -57.674
Base-Backbone interact. energy: 0.813
local terms energy: -76.402567
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -9.791
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: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -94.725034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.725034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.725034 (E_RNA)
where:
Base-Base interactions energy: -32.943
where: short stacking energy: -32.943
Base-Backbone interact. energy: -0.178
local terms energy: -61.604642
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: 3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -98.069090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.069090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.069090 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -37.370
Base-Backbone interact. energy: -0.273
local terms energy: -58.475606
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -6.136
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: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -84.510103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.510103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.510103 (E_RNA)
where:
Base-Base interactions energy: -36.364
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.224
local terms energy: -47.922330
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: 3.497
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: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -93.297153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.297153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.297153 (E_RNA)
where:
Base-Base interactions energy: -35.498
where: short stacking energy: -34.161
Base-Backbone interact. energy: -0.153
local terms energy: -57.645981
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -4.553
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: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -239.367102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.367102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.367102 (E_RNA)
where:
Base-Base interactions energy: -155.114
where: short stacking energy: -72.756
Base-Backbone interact. energy: -1.216
local terms energy: -83.036781
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -222.256276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.256276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.256276 (E_RNA)
where:
Base-Base interactions energy: -141.811
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.237
local terms energy: -80.209005
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -220.023328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.023328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.023328 (E_RNA)
where:
Base-Base interactions energy: -131.473
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.055
local terms energy: -88.494926
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -22.814
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: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -210.916601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.916601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.916601 (E_RNA)
where:
Base-Base interactions energy: -139.534
where: short stacking energy: -67.227
Base-Backbone interact. energy: 0.078
local terms energy: -71.460475
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -14.987
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: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -205.093591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.093591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.093591 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -70.561
Base-Backbone interact. energy: -0.048
local terms energy: -76.114761
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -16.055
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -198.801830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.801830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.801830 (E_RNA)
where:
Base-Base interactions energy: -126.629
where: short stacking energy: -57.791
Base-Backbone interact. energy: -2.620
local terms energy: -69.552930
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -98.023111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.023111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.023111 (E_RNA)
where:
Base-Base interactions energy: -43.065
where: short stacking energy: -31.325
Base-Backbone interact. energy: -0.344
local terms energy: -54.614628
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -89.625821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.625821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.625821 (E_RNA)
where:
Base-Base interactions energy: -29.615
where: short stacking energy: -23.791
Base-Backbone interact. energy: -0.092
local terms energy: -59.918815
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -98.804479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.804479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.804479 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -35.800
Base-Backbone interact. energy: 0.625
local terms energy: -63.536509
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -92.702631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.702631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.702631 (E_RNA)
where:
Base-Base interactions energy: -31.335
where: short stacking energy: -23.052
Base-Backbone interact. energy: -0.104
local terms energy: -61.263491
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -239.699163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.699163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.699163 (E_RNA)
where:
Base-Base interactions energy: -153.423
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.092
local terms energy: -86.183398
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -233.242688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.242688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.242688 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.009
local terms energy: -79.456204
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -7.257
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: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -214.073159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.073159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.073159 (E_RNA)
where:
Base-Base interactions energy: -133.313
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.200
local terms energy: -80.560423
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.523
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: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -207.984057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.984057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.984057 (E_RNA)
where:
Base-Base interactions energy: -132.157
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.865
local terms energy: -74.962186
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -20.081
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: 45
Temperature: 1.100000
Total energy: -203.373704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373704 (E_RNA)
where:
Base-Base interactions energy: -118.670
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.006
local terms energy: -84.697505
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -9.349
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: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -195.572800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.572800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.572800 (E_RNA)
where:
Base-Base interactions energy: -127.392
where: short stacking energy: -56.715
Base-Backbone interact. energy: -0.335
local terms energy: -67.845948
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -8.154
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: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -108.992852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.992852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.992852 (E_RNA)
where:
Base-Base interactions energy: -43.611
where: short stacking energy: -40.823
Base-Backbone interact. energy: -0.077
local terms energy: -65.305250
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -94.567638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.567638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.567638 (E_RNA)
where:
Base-Base interactions energy: -35.527
where: short stacking energy: -35.527
Base-Backbone interact. energy: -0.333
local terms energy: -58.707621
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -87.028099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.028099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.028099 (E_RNA)
where:
Base-Base interactions energy: -33.360
where: short stacking energy: -33.360
Base-Backbone interact. energy: -0.388
local terms energy: -53.279377
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -86.919748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.919748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.919748 (E_RNA)
where:
Base-Base interactions energy: -27.549
where: short stacking energy: -26.730
Base-Backbone interact. energy: -0.316
local terms energy: -59.054878
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -234.541848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.541848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.541848 (E_RNA)
where:
Base-Base interactions energy: -145.708
where: short stacking energy: -73.674
Base-Backbone interact. energy: -0.043
local terms energy: -88.791356
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -239.364245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.364245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.364245 (E_RNA)
where:
Base-Base interactions energy: -159.131
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.254
local terms energy: -79.979390
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -231.104820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.104820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.104820 (E_RNA)
where:
Base-Base interactions energy: -145.160
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.288
local terms energy: -85.656498
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -208.936526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.936526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.936526 (E_RNA)
where:
Base-Base interactions energy: -124.689
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.061
local terms energy: -84.187189
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -210.820848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.820848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.820848 (E_RNA)
where:
Base-Base interactions energy: -130.509
where: short stacking energy: -63.909
Base-Backbone interact. energy: -0.004
local terms energy: -80.307996
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -186.759432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.759432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.759432 (E_RNA)
where:
Base-Base interactions energy: -112.525
where: short stacking energy: -43.855
Base-Backbone interact. energy: -0.032
local terms energy: -74.202460
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -11.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -113.267279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.267279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.267279 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -38.720
Base-Backbone interact. energy: 0.665
local terms energy: -75.212101
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -106.639222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.639222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.639222 (E_RNA)
where:
Base-Base interactions energy: -50.824
where: short stacking energy: -32.001
Base-Backbone interact. energy: -0.202
local terms energy: -55.613973
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -151.384852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.384852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.384852 (E_RNA)
where:
Base-Base interactions energy: -89.076
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.166
local terms energy: -62.143627
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -90.229830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.229830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.229830 (E_RNA)
where:
Base-Base interactions energy: -30.136
where: short stacking energy: -30.136
Base-Backbone interact. energy: -0.088
local terms energy: -60.005650
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -6.938
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: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -228.838308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.838308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.838308 (E_RNA)
where:
Base-Base interactions energy: -150.797
where: short stacking energy: -79.360
Base-Backbone interact. energy: -0.009
local terms energy: -78.032055
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -242.267409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.267409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.267409 (E_RNA)
where:
Base-Base interactions energy: -158.435
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.477
local terms energy: -83.354834
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -19.576
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: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -215.529252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.529252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.529252 (E_RNA)
where:
Base-Base interactions energy: -140.619
where: short stacking energy: -51.788
Base-Backbone interact. energy: 0.106
local terms energy: -75.015802
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -213.050002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.050002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.050002 (E_RNA)
where:
Base-Base interactions energy: -129.723
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.081
local terms energy: -83.246207
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -193.477250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.477250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.477250 (E_RNA)
where:
Base-Base interactions energy: -112.980
where: short stacking energy: -57.837
Base-Backbone interact. energy: -0.926
local terms energy: -79.571155
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -195.008036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.008036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.008036 (E_RNA)
where:
Base-Base interactions energy: -129.752
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.636
local terms energy: -64.619568
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -97.226488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.226488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.226488 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -32.071
Base-Backbone interact. energy: -0.113
local terms energy: -65.042014
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -192.854854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.854854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.854854 (E_RNA)
where:
Base-Base interactions energy: -109.423
where: short stacking energy: -54.217
Base-Backbone interact. energy: -0.120
local terms energy: -83.312544
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -96.472305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.472305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.472305 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -32.907
Base-Backbone interact. energy: -0.263
local terms energy: -59.541739
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -85.703695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.703695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.703695 (E_RNA)
where:
Base-Base interactions energy: -35.868
where: short stacking energy: -35.868
Base-Backbone interact. energy: -0.190
local terms energy: -49.645898
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -12.338
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: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -246.255078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.255078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.255078 (E_RNA)
where:
Base-Base interactions energy: -162.473
where: short stacking energy: -76.474
Base-Backbone interact. energy: -0.070
local terms energy: -83.711550
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -16.515
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: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -225.820856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.820856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.820856 (E_RNA)
where:
Base-Base interactions energy: -146.404
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.135
local terms energy: -79.281447
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -229.510775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.510775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.510775 (E_RNA)
where:
Base-Base interactions energy: -150.561
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.652
local terms energy: -78.297806
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -17.146
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: 48
Temperature: 1.050000
Total energy: -204.987308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.987308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.987308 (E_RNA)
where:
Base-Base interactions energy: -126.260
where: short stacking energy: -64.486
Base-Backbone interact. energy: -0.014
local terms energy: -78.713841
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -202.677802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.677802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.677802 (E_RNA)
where:
Base-Base interactions energy: -129.636
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.129
local terms energy: -72.913104
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -9.030
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -178.705596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.705596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.705596 (E_RNA)
where:
Base-Base interactions energy: -112.754
where: short stacking energy: -58.717
Base-Backbone interact. energy: 0.033
local terms energy: -65.984564
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -185.353880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.353880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.353880 (E_RNA)
where:
Base-Base interactions energy: -117.861
where: short stacking energy: -46.766
Base-Backbone interact. energy: -0.921
local terms energy: -66.572093
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -95.857517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.857517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.857517 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.905
local terms energy: -60.682535
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -99.066489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.066489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.066489 (E_RNA)
where:
Base-Base interactions energy: -56.015
where: short stacking energy: -27.024
Base-Backbone interact. energy: -0.379
local terms energy: -42.673015
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -76.844575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.844575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.844575 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -29.943
Base-Backbone interact. energy: 0.192
local terms energy: -43.132005
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: 2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -241.931027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.931027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.931027 (E_RNA)
where:
Base-Base interactions energy: -164.686
where: short stacking energy: -71.789
Base-Backbone interact. energy: 0.665
local terms energy: -77.910261
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -16.728
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: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -239.843883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.843883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.843883 (E_RNA)
where:
Base-Base interactions energy: -155.790
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.326
local terms energy: -83.727097
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -211.450808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.450808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450808 (E_RNA)
where:
Base-Base interactions energy: -129.425
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.372
local terms energy: -81.653701
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -219.930041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.930041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.930041 (E_RNA)
where:
Base-Base interactions energy: -139.806
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.050
local terms energy: -80.074505
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -203.136537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.136537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.136537 (E_RNA)
where:
Base-Base interactions energy: -128.473
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.168
local terms energy: -74.495897
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -196.423418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.423418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.423418 (E_RNA)
where:
Base-Base interactions energy: -130.515
where: short stacking energy: -66.563
Base-Backbone interact. energy: -0.085
local terms energy: -65.823586
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.669
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: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -187.734423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.734423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.734423 (E_RNA)
where:
Base-Base interactions energy: -116.046
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.114
local terms energy: -71.575175
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -103.021031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.021031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.021031 (E_RNA)
where:
Base-Base interactions energy: -51.526
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.540
local terms energy: -50.954797
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -5.182
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: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -106.711183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.711183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.711183 (E_RNA)
where:
Base-Base interactions energy: -50.182
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.182
local terms energy: -56.347035
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -81.572352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.572352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.572352 (E_RNA)
where:
Base-Base interactions energy: -24.309
where: short stacking energy: -24.309
Base-Backbone interact. energy: -0.202
local terms energy: -57.061093
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.480
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: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -238.466816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.466816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.466816 (E_RNA)
where:
Base-Base interactions energy: -160.667
where: short stacking energy: -63.068
Base-Backbone interact. energy: 0.436
local terms energy: -78.235537
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -238.967565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.967565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.967565 (E_RNA)
where:
Base-Base interactions energy: -146.506
where: short stacking energy: -72.938
Base-Backbone interact. energy: 0.769
local terms energy: -93.230493
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -19.968
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: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -223.162765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.162765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.162765 (E_RNA)
where:
Base-Base interactions energy: -145.578
where: short stacking energy: -61.082
Base-Backbone interact. energy: -0.129
local terms energy: -77.456480
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -9.366
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: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -200.547148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.547148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.547148 (E_RNA)
where:
Base-Base interactions energy: -124.031
where: short stacking energy: -60.444
Base-Backbone interact. energy: -0.007
local terms energy: -76.509086
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -8.138
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: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -206.069659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069659 (E_RNA)
where:
Base-Base interactions energy: -124.406
where: short stacking energy: -56.819
Base-Backbone interact. energy: -0.051
local terms energy: -81.612833
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -196.358740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.358740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.358740 (E_RNA)
where:
Base-Base interactions energy: -118.956
where: short stacking energy: -52.146
Base-Backbone interact. energy: -0.716
local terms energy: -76.686018
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -12.683
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: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -185.971614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.971614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.971614 (E_RNA)
where:
Base-Base interactions energy: -120.580
where: short stacking energy: -48.519
Base-Backbone interact. energy: -0.108
local terms energy: -65.284178
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -5.232
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: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -100.602873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.602873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.602873 (E_RNA)
where:
Base-Base interactions energy: -39.726
where: short stacking energy: -38.497
Base-Backbone interact. energy: -0.138
local terms energy: -60.738842
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -104.658972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.658972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.658972 (E_RNA)
where:
Base-Base interactions energy: -46.180
where: short stacking energy: -33.652
Base-Backbone interact. energy: -0.204
local terms energy: -58.275608
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -89.415607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415607 (E_RNA)
where:
Base-Base interactions energy: -26.728
where: short stacking energy: -25.933
Base-Backbone interact. energy: -0.119
local terms energy: -62.568503
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -250.954661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.954661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.954661 (E_RNA)
where:
Base-Base interactions energy: -163.788
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.368
local terms energy: -86.798780
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -238.536288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.536288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.536288 (E_RNA)
where:
Base-Base interactions energy: -154.459
where: short stacking energy: -76.959
Base-Backbone interact. energy: 0.890
local terms energy: -84.967990
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -12.351
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: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -234.613849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.613849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.613849 (E_RNA)
where:
Base-Base interactions energy: -153.106
where: short stacking energy: -64.282
Base-Backbone interact. energy: 0.260
local terms energy: -81.766985
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -18.115
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: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -216.510690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510690 (E_RNA)
where:
Base-Base interactions energy: -129.098
where: short stacking energy: -70.029
Base-Backbone interact. energy: 0.458
local terms energy: -87.870987
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -199.730600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.730600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.730600 (E_RNA)
where:
Base-Base interactions energy: -119.479
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.875
local terms energy: -79.376559
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -11.718
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: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -190.511315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.511315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.511315 (E_RNA)
where:
Base-Base interactions energy: -124.714
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.553
local terms energy: -65.244668
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -12.212
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: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -194.981016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.981016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.981016 (E_RNA)
where:
Base-Base interactions energy: -116.696
where: short stacking energy: -53.831
Base-Backbone interact. energy: 0.057
local terms energy: -78.342244
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -14.151
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: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -106.430950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.430950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.430950 (E_RNA)
where:
Base-Base interactions energy: -39.539
where: short stacking energy: -27.937
Base-Backbone interact. energy: 1.981
local terms energy: -68.872882
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -96.007575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.007575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.007575 (E_RNA)
where:
Base-Base interactions energy: -25.967
where: short stacking energy: -25.978
Base-Backbone interact. energy: -0.017
local terms energy: -70.023118
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -9.662
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: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -83.213779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.213779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.213779 (E_RNA)
where:
Base-Base interactions energy: -22.733
where: short stacking energy: -20.443
Base-Backbone interact. energy: -0.079
local terms energy: -60.401519
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -255.208820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.208820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.208820 (E_RNA)
where:
Base-Base interactions energy: -176.945
where: short stacking energy: -76.143
Base-Backbone interact. energy: -0.859
local terms energy: -77.405344
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -16.813
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: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -219.341112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341112 (E_RNA)
where:
Base-Base interactions energy: -137.586
where: short stacking energy: -71.970
Base-Backbone interact. energy: -0.110
local terms energy: -81.644491
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -231.646386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.646386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.646386 (E_RNA)
where:
Base-Base interactions energy: -156.730
where: short stacking energy: -72.872
Base-Backbone interact. energy: -0.022
local terms energy: -74.894669
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -220.418930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.418930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.418930 (E_RNA)
where:
Base-Base interactions energy: -136.807
where: short stacking energy: -75.140
Base-Backbone interact. energy: -0.010
local terms energy: -83.601799
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -193.194508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.194508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.194508 (E_RNA)
where:
Base-Base interactions energy: -120.314
where: short stacking energy: -61.875
Base-Backbone interact. energy: -0.381
local terms energy: -72.499999
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -192.243293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.243293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.243293 (E_RNA)
where:
Base-Base interactions energy: -115.725
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.830
local terms energy: -75.688831
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -10.070
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -197.767608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.767608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.767608 (E_RNA)
where:
Base-Base interactions energy: -126.345
where: short stacking energy: -64.489
Base-Backbone interact. energy: -2.034
local terms energy: -69.388411
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -93.908878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.908878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.908878 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -21.245
Base-Backbone interact. energy: 0.617
local terms energy: -65.279231
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -7.576
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: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -90.450849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.450849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.450849 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.066
local terms energy: -60.077561
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -104.432371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.432371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.432371 (E_RNA)
where:
Base-Base interactions energy: -48.254
where: short stacking energy: -24.599
Base-Backbone interact. energy: -0.197
local terms energy: -55.981770
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -259.120959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.120959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.120959 (E_RNA)
where:
Base-Base interactions energy: -174.383
where: short stacking energy: -76.296
Base-Backbone interact. energy: -0.032
local terms energy: -84.705860
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -19.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -248.751898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.751898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.751898 (E_RNA)
where:
Base-Base interactions energy: -159.067
where: short stacking energy: -65.918
Base-Backbone interact. energy: -0.445
local terms energy: -89.240717
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -217.657427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.657427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.657427 (E_RNA)
where:
Base-Base interactions energy: -134.525
where: short stacking energy: -66.110
Base-Backbone interact. energy: -0.267
local terms energy: -82.865771
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -210.327776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.327776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.327776 (E_RNA)
where:
Base-Base interactions energy: -128.512
where: short stacking energy: -72.196
Base-Backbone interact. energy: -0.063
local terms energy: -81.753000
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -203.819686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.819686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.819686 (E_RNA)
where:
Base-Base interactions energy: -136.216
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.119
local terms energy: -67.484539
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -6.346
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: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -195.964396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.964396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.964396 (E_RNA)
where:
Base-Base interactions energy: -114.462
where: short stacking energy: -54.669
Base-Backbone interact. energy: -2.268
local terms energy: -79.233994
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -14.401
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: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -184.841255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.841255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.841255 (E_RNA)
where:
Base-Base interactions energy: -113.375
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.164
local terms energy: -71.302909
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -11.685
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: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -92.099784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.099784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.099784 (E_RNA)
where:
Base-Base interactions energy: -35.895
where: short stacking energy: -35.895
Base-Backbone interact. energy: 0.038
local terms energy: -56.243009
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -90.525918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525918 (E_RNA)
where:
Base-Base interactions energy: -28.209
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.164
local terms energy: -62.153055
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -7.377
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: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -81.738475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.738475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.738475 (E_RNA)
where:
Base-Base interactions energy: -30.272
where: short stacking energy: -20.625
Base-Backbone interact. energy: -0.305
local terms energy: -51.161129
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -248.401249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.401249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.401249 (E_RNA)
where:
Base-Base interactions energy: -166.918
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.153
local terms energy: -81.329507
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -268.746295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.746295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.746295 (E_RNA)
where:
Base-Base interactions energy: -190.486
where: short stacking energy: -77.750
Base-Backbone interact. energy: 0.438
local terms energy: -78.697732
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -223.600377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.600377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.600377 (E_RNA)
where:
Base-Base interactions energy: -136.815
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.273
local terms energy: -86.513099
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -213.722851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.722851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.722851 (E_RNA)
where:
Base-Base interactions energy: -133.376
where: short stacking energy: -57.437
Base-Backbone interact. energy: -0.725
local terms energy: -79.621522
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -194.987257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.987257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.987257 (E_RNA)
where:
Base-Base interactions energy: -127.835
where: short stacking energy: -66.252
Base-Backbone interact. energy: -0.055
local terms energy: -67.097521
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -6.840
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: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -189.909995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.909995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.909995 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -61.251
Base-Backbone interact. energy: -0.239
local terms energy: -72.166220
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -14.221
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: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -171.978788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.978788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.978788 (E_RNA)
where:
Base-Base interactions energy: -96.024
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.761
local terms energy: -75.193643
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -113.881760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.881760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.881760 (E_RNA)
where:
Base-Base interactions energy: -59.717
where: short stacking energy: -36.707
Base-Backbone interact. energy: -1.045
local terms energy: -53.119643
where:
bonds (distance) C4'-P energy: -4.807
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -88.023429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.023429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.023429 (E_RNA)
where:
Base-Base interactions energy: -30.043
where: short stacking energy: -26.731
Base-Backbone interact. energy: 1.094
local terms energy: -59.074555
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -3.584
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -89.491842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.491842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.491842 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -29.036
Base-Backbone interact. energy: -0.200
local terms energy: -50.969785
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -8.313
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -0.971
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: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -244.725618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.725618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.725618 (E_RNA)
where:
Base-Base interactions energy: -159.180
where: short stacking energy: -65.120
Base-Backbone interact. energy: 0.010
local terms energy: -85.555025
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -18.790
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: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -224.703574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.703574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.703574 (E_RNA)
where:
Base-Base interactions energy: -144.712
where: short stacking energy: -79.046
Base-Backbone interact. energy: -0.504
local terms energy: -79.487586
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -20.794
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: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -247.295393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.295393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.295393 (E_RNA)
where:
Base-Base interactions energy: -172.758
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.378
local terms energy: -74.159599
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -10.866
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: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -186.797991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.797991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.797991 (E_RNA)
where:
Base-Base interactions energy: -116.794
where: short stacking energy: -55.619
Base-Backbone interact. energy: -0.346
local terms energy: -69.658501
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -201.880675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.880675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.880675 (E_RNA)
where:
Base-Base interactions energy: -120.415
where: short stacking energy: -53.965
Base-Backbone interact. energy: -0.008
local terms energy: -81.457656
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -17.596
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: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -204.519702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.519702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.519702 (E_RNA)
where:
Base-Base interactions energy: -133.021
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.265
local terms energy: -71.234107
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -188.147462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.147462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.147462 (E_RNA)
where:
Base-Base interactions energy: -122.504
where: short stacking energy: -59.396
Base-Backbone interact. energy: -0.265
local terms energy: -65.379123
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -8.098
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: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -105.230451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.230451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.230451 (E_RNA)
where:
Base-Base interactions energy: -51.607
where: short stacking energy: -35.984
Base-Backbone interact. energy: -0.040
local terms energy: -53.583283
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -88.990201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.990201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.990201 (E_RNA)
where:
Base-Base interactions energy: -37.797
where: short stacking energy: -25.363
Base-Backbone interact. energy: 0.121
local terms energy: -51.313688
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.767
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: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -98.385166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.385166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.385166 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -42.320
Base-Backbone interact. energy: -0.237
local terms energy: -55.827842
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -6.295
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: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -250.699674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.699674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.699674 (E_RNA)
where:
Base-Base interactions energy: -168.361
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.331
local terms energy: -82.007518
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -228.254953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.254953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.254953 (E_RNA)
where:
Base-Base interactions energy: -149.269
where: short stacking energy: -70.492
Base-Backbone interact. energy: -0.138
local terms energy: -78.848153
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -200.483434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.483434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.483434 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.504
local terms energy: -71.272050
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -229.929437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.929437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.929437 (E_RNA)
where:
Base-Base interactions energy: -151.514
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.020
local terms energy: -78.395318
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -15.144
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: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -199.984397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.984397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.984397 (E_RNA)
where:
Base-Base interactions energy: -127.810
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.525
local terms energy: -71.649836
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -207.352654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.352654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.352654 (E_RNA)
where:
Base-Base interactions energy: -133.423
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.614
local terms energy: -73.315390
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -15.913
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: 56
Temperature: 1.200000
Total energy: -202.769684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.769684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.769684 (E_RNA)
where:
Base-Base interactions energy: -124.226
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.511
local terms energy: -78.032861
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -9.098
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: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -96.402485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.402485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.402485 (E_RNA)
where:
Base-Base interactions energy: -41.825
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.154
local terms energy: -54.423080
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -86.598926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.598926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.598926 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -21.153
Base-Backbone interact. energy: -0.107
local terms energy: -52.088439
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -80.230790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.230790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.230790 (E_RNA)
where:
Base-Base interactions energy: -28.818
where: short stacking energy: -28.303
Base-Backbone interact. energy: -0.269
local terms energy: -51.143995
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: 0.225
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: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -249.435188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.435188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.435188 (E_RNA)
where:
Base-Base interactions energy: -163.949
where: short stacking energy: -61.499
Base-Backbone interact. energy: -1.053
local terms energy: -84.432575
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -226.284729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.284729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.284729 (E_RNA)
where:
Base-Base interactions energy: -137.012
where: short stacking energy: -76.299
Base-Backbone interact. energy: -0.971
local terms energy: -88.300962
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -208.635807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.635807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.635807 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.080
local terms energy: -75.686519
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -11.732
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: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -224.045622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.045622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.045622 (E_RNA)
where:
Base-Base interactions energy: -147.252
where: short stacking energy: -70.700
Base-Backbone interact. energy: -1.147
local terms energy: -75.646805
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -208.307606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.307606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.307606 (E_RNA)
where:
Base-Base interactions energy: -142.404
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.147
local terms energy: -65.755847
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -209.237174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.237174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.237174 (E_RNA)
where:
Base-Base interactions energy: -135.808
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.503
local terms energy: -72.926154
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -193.521753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.521753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.521753 (E_RNA)
where:
Base-Base interactions energy: -112.518
where: short stacking energy: -47.274
Base-Backbone interact. energy: -0.456
local terms energy: -80.547708
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -102.729431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.729431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.729431 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -22.126
Base-Backbone interact. energy: -0.135
local terms energy: -70.328411
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -95.569865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.569865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.569865 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -31.972
Base-Backbone interact. energy: -0.742
local terms energy: -56.647891
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -89.938472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.938472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.938472 (E_RNA)
where:
Base-Base interactions energy: -28.932
where: short stacking energy: -27.926
Base-Backbone interact. energy: 0.493
local terms energy: -61.499607
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: 2.275
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: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -244.212949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.212949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.212949 (E_RNA)
where:
Base-Base interactions energy: -155.256
where: short stacking energy: -80.993
Base-Backbone interact. energy: 0.871
local terms energy: -89.828344
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -235.063831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.063831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.063831 (E_RNA)
where:
Base-Base interactions energy: -159.223
where: short stacking energy: -64.348
Base-Backbone interact. energy: -0.384
local terms energy: -75.456990
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -228.923545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.923545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.923545 (E_RNA)
where:
Base-Base interactions energy: -147.550
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.337
local terms energy: -81.037116
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -11.419
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: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -215.783820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.783820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.783820 (E_RNA)
where:
Base-Base interactions energy: -140.922
where: short stacking energy: -61.232
Base-Backbone interact. energy: -1.039
local terms energy: -73.822773
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -204.599762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.599762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.599762 (E_RNA)
where:
Base-Base interactions energy: -131.040
where: short stacking energy: -55.523
Base-Backbone interact. energy: -0.760
local terms energy: -72.799838
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -190.931809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.931809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.931809 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.084
local terms energy: -65.503347
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -186.684081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.684081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.684081 (E_RNA)
where:
Base-Base interactions energy: -108.277
where: short stacking energy: -51.364
Base-Backbone interact. energy: -0.354
local terms energy: -78.052761
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -12.472
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: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -107.386286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.386286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.386286 (E_RNA)
where:
Base-Base interactions energy: -38.639
where: short stacking energy: -38.639
Base-Backbone interact. energy: 1.877
local terms energy: -70.624065
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -85.684317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.684317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.684317 (E_RNA)
where:
Base-Base interactions energy: -24.691
where: short stacking energy: -24.691
Base-Backbone interact. energy: -0.421
local terms energy: -60.572735
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: 3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -93.794998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.794998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.794998 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -17.665
Base-Backbone interact. energy: -0.913
local terms energy: -55.979579
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -235.582888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.582888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.582888 (E_RNA)
where:
Base-Base interactions energy: -147.940
where: short stacking energy: -88.952
Base-Backbone interact. energy: 0.004
local terms energy: -87.646723
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -20.377
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -231.608782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.608782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.608782 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -60.113
Base-Backbone interact. energy: 0.874
local terms energy: -82.503568
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -229.564703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.564703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.564703 (E_RNA)
where:
Base-Base interactions energy: -142.053
where: short stacking energy: -66.823
Base-Backbone interact. energy: -0.192
local terms energy: -87.319606
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -17.661
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: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -207.151022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.151022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.151022 (E_RNA)
where:
Base-Base interactions energy: -125.574
where: short stacking energy: -59.539
Base-Backbone interact. energy: -0.484
local terms energy: -81.093023
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -207.361575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.361575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.361575 (E_RNA)
where:
Base-Base interactions energy: -124.035
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.439
local terms energy: -82.887050
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -206.179237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.179237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.179237 (E_RNA)
where:
Base-Base interactions energy: -131.503
where: short stacking energy: -63.365
Base-Backbone interact. energy: -0.073
local terms energy: -74.603124
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -4.313
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: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -188.667522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.667522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.667522 (E_RNA)
where:
Base-Base interactions energy: -113.859
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.243
local terms energy: -74.565673
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -107.374704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.374704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.374704 (E_RNA)
where:
Base-Base interactions energy: -39.547
where: short stacking energy: -34.453
Base-Backbone interact. energy: -0.004
local terms energy: -67.823404
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -106.893355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.893355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.893355 (E_RNA)
where:
Base-Base interactions energy: -48.486
where: short stacking energy: -26.058
Base-Backbone interact. energy: -0.335
local terms energy: -58.072799
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -3.644
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: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -90.131825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.131825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.131825 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -18.860
Base-Backbone interact. energy: -0.431
local terms energy: -51.850284
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -240.047009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.047009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.047009 (E_RNA)
where:
Base-Base interactions energy: -153.553
where: short stacking energy: -72.188
Base-Backbone interact. energy: -1.180
local terms energy: -85.314090
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -248.809320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.809320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.809320 (E_RNA)
where:
Base-Base interactions energy: -159.473
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.181
local terms energy: -89.154548
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -235.702961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.702961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.702961 (E_RNA)
where:
Base-Base interactions energy: -159.663
where: short stacking energy: -68.429
Base-Backbone interact. energy: -0.589
local terms energy: -75.450763
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -205.294288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.294288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.294288 (E_RNA)
where:
Base-Base interactions energy: -130.295
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.177
local terms energy: -74.822140
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -197.668930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.668930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.668930 (E_RNA)
where:
Base-Base interactions energy: -123.175
where: short stacking energy: -62.217
Base-Backbone interact. energy: 0.063
local terms energy: -74.556552
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -202.732787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.732787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.732787 (E_RNA)
where:
Base-Base interactions energy: -129.617
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.431
local terms energy: -72.684744
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -14.661
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: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -183.224973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.224973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.224973 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -47.298
Base-Backbone interact. energy: -0.351
local terms energy: -72.082340
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -10.987
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: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -106.066117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.066117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.066117 (E_RNA)
where:
Base-Base interactions energy: -47.910
where: short stacking energy: -48.156
Base-Backbone interact. energy: -0.437
local terms energy: -57.719073
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -101.063783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.063783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.063783 (E_RNA)
where:
Base-Base interactions energy: -46.887
where: short stacking energy: -36.040
Base-Backbone interact. energy: 0.047
local terms energy: -54.223996
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -100.586216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.586216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.586216 (E_RNA)
where:
Base-Base interactions energy: -40.331
where: short stacking energy: -33.341
Base-Backbone interact. energy: -0.456
local terms energy: -59.799775
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -242.034724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.034724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.034724 (E_RNA)
where:
Base-Base interactions energy: -158.820
where: short stacking energy: -69.334
Base-Backbone interact. energy: -0.002
local terms energy: -83.212818
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -249.033874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.033874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.033874 (E_RNA)
where:
Base-Base interactions energy: -162.396
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.024
local terms energy: -86.613217
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -228.344269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.344269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.344269 (E_RNA)
where:
Base-Base interactions energy: -148.886
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.589
local terms energy: -78.869519
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -13.395
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -204.186281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.186281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.186281 (E_RNA)
where:
Base-Base interactions energy: -126.234
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.041
local terms energy: -77.911102
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -206.996369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.996369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.996369 (E_RNA)
where:
Base-Base interactions energy: -133.962
where: short stacking energy: -66.617
Base-Backbone interact. energy: -0.181
local terms energy: -72.852966
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -8.850
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: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -207.797320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.797320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.797320 (E_RNA)
where:
Base-Base interactions energy: -127.248
where: short stacking energy: -64.317
Base-Backbone interact. energy: -0.049
local terms energy: -80.500350
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -16.596
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: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -189.557622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.557622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.557622 (E_RNA)
where:
Base-Base interactions energy: -115.798
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.054
local terms energy: -73.705710
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -111.774154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.774154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.774154 (E_RNA)
where:
Base-Base interactions energy: -47.425
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.083
local terms energy: -64.266663
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -13.545
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: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -86.126469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.126469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.126469 (E_RNA)
where:
Base-Base interactions energy: -34.750
where: short stacking energy: -23.061
Base-Backbone interact. energy: 2.960
local terms energy: -54.336435
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: 9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -103.771828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.771828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.771828 (E_RNA)
where:
Base-Base interactions energy: -49.919
where: short stacking energy: -36.089
Base-Backbone interact. energy: -0.087
local terms energy: -53.765263
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -267.871912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.871912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.871912 (E_RNA)
where:
Base-Base interactions energy: -180.243
where: short stacking energy: -72.275
Base-Backbone interact. energy: -1.065
local terms energy: -86.564010
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -22.326
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: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -236.138143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.138143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.138143 (E_RNA)
where:
Base-Base interactions energy: -150.995
where: short stacking energy: -66.021
Base-Backbone interact. energy: -0.756
local terms energy: -84.387648
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -222.593328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.593328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.593328 (E_RNA)
where:
Base-Base interactions energy: -143.271
where: short stacking energy: -54.049
Base-Backbone interact. energy: -1.400
local terms energy: -77.921445
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -209.772517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.772517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.772517 (E_RNA)
where:
Base-Base interactions energy: -127.275
where: short stacking energy: -54.874
Base-Backbone interact. energy: -0.541
local terms energy: -81.956613
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -15.100
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -200.388751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.388751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.388751 (E_RNA)
where:
Base-Base interactions energy: -123.406
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.557
local terms energy: -76.425871
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -201.532519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.532519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.532519 (E_RNA)
where:
Base-Base interactions energy: -128.604
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.967
local terms energy: -71.961327
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -191.435482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.435482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.435482 (E_RNA)
where:
Base-Base interactions energy: -112.177
where: short stacking energy: -47.966
Base-Backbone interact. energy: -0.011
local terms energy: -79.247700
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -16.848
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: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -101.505550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.505550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.505550 (E_RNA)
where:
Base-Base interactions energy: -48.417
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.181
local terms energy: -52.907221
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.132
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: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -81.434644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.434644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.434644 (E_RNA)
where:
Base-Base interactions energy: -25.441
where: short stacking energy: -24.432
Base-Backbone interact. energy: -0.082
local terms energy: -55.911912
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -98.962367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.962367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.962367 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.542
local terms energy: -64.554975
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -259.336779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.336779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.336779 (E_RNA)
where:
Base-Base interactions energy: -178.054
where: short stacking energy: -74.193
Base-Backbone interact. energy: 1.350
local terms energy: -82.632860
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -228.148577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.148577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.148577 (E_RNA)
where:
Base-Base interactions energy: -142.469
where: short stacking energy: -62.738
Base-Backbone interact. energy: -1.090
local terms energy: -84.589788
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -232.805832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.805832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.805832 (E_RNA)
where:
Base-Base interactions energy: -144.365
where: short stacking energy: -82.783
Base-Backbone interact. energy: -0.677
local terms energy: -87.764116
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -18.397
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: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -212.364859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364859 (E_RNA)
where:
Base-Base interactions energy: -133.888
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.058
local terms energy: -78.419364
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.435
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: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -222.898674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.898674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.898674 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -75.605
Base-Backbone interact. energy: -0.767
local terms energy: -79.446622
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -194.310449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.310449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.310449 (E_RNA)
where:
Base-Base interactions energy: -127.252
where: short stacking energy: -61.545
Base-Backbone interact. energy: 0.585
local terms energy: -67.643103
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -18.333
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: 63
Temperature: 1.200000
Total energy: -196.283054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.283054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.283054 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.286
local terms energy: -76.330180
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -90.839586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.839586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.839586 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.034
local terms energy: -55.790859
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -102.860032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.860032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.860032 (E_RNA)
where:
Base-Base interactions energy: -47.027
where: short stacking energy: -46.659
Base-Backbone interact. energy: -0.126
local terms energy: -55.707337
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -8.819
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: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -86.310654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.310654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.310654 (E_RNA)
where:
Base-Base interactions energy: -36.745
where: short stacking energy: -22.578
Base-Backbone interact. energy: -1.209
local terms energy: -48.356794
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -270.951290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.951290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.951290 (E_RNA)
where:
Base-Base interactions energy: -186.831
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.933
local terms energy: -83.186839
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -216.048973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.048973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.048973 (E_RNA)
where:
Base-Base interactions energy: -138.426
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.904
local terms energy: -76.718465
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -8.422
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -219.354938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.354938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.354938 (E_RNA)
where:
Base-Base interactions energy: -135.991
where: short stacking energy: -65.828
Base-Backbone interact. energy: -0.336
local terms energy: -83.028034
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -214.588521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.588521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.588521 (E_RNA)
where:
Base-Base interactions energy: -137.393
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.279
local terms energy: -76.916287
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -13.287
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: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -212.456184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.456184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.456184 (E_RNA)
where:
Base-Base interactions energy: -136.265
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.046
local terms energy: -76.145149
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -195.266610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.266610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.266610 (E_RNA)
where:
Base-Base interactions energy: -125.490
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.184
local terms energy: -69.592671
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -199.182116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.182116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.182116 (E_RNA)
where:
Base-Base interactions energy: -123.187
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.131
local terms energy: -75.863954
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -16.019
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -91.700966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.700966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.700966 (E_RNA)
where:
Base-Base interactions energy: -31.362
where: short stacking energy: -29.320
Base-Backbone interact. energy: -0.350
local terms energy: -59.988228
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -104.663645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.663645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.663645 (E_RNA)
where:
Base-Base interactions energy: -40.578
where: short stacking energy: -28.789
Base-Backbone interact. energy: -0.245
local terms energy: -63.840726
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -79.229565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229565 (E_RNA)
where:
Base-Base interactions energy: -27.941
where: short stacking energy: -27.941
Base-Backbone interact. energy: 0.397
local terms energy: -51.685811
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.464
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -270.161045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.161045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.161045 (E_RNA)
where:
Base-Base interactions energy: -187.052
where: short stacking energy: -74.871
Base-Backbone interact. energy: -0.517
local terms energy: -82.591803
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -21.096
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: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -217.899426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.899426 (E_RNA)
where:
Base-Base interactions energy: -144.108
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.017
local terms energy: -73.774218
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -7.021
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: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -211.786374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.786374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.786374 (E_RNA)
where:
Base-Base interactions energy: -135.484
where: short stacking energy: -68.547
Base-Backbone interact. energy: -1.064
local terms energy: -75.238635
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -15.489
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: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -206.881386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.881386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.881386 (E_RNA)
where:
Base-Base interactions energy: -136.716
where: short stacking energy: -63.552
Base-Backbone interact. energy: -0.052
local terms energy: -70.113378
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -204.417912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.417912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.417912 (E_RNA)
where:
Base-Base interactions energy: -130.920
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.434
local terms energy: -73.063185
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -13.451
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: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -181.310543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.310543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.310543 (E_RNA)
where:
Base-Base interactions energy: -110.454
where: short stacking energy: -52.741
Base-Backbone interact. energy: 0.140
local terms energy: -70.996668
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -191.231613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.231613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.231613 (E_RNA)
where:
Base-Base interactions energy: -113.421
where: short stacking energy: -55.873
Base-Backbone interact. energy: -0.562
local terms energy: -77.247892
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -110.440192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.440192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.440192 (E_RNA)
where:
Base-Base interactions energy: -44.338
where: short stacking energy: -43.040
Base-Backbone interact. energy: -0.097
local terms energy: -66.005964
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -8.941
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: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -96.846437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846437 (E_RNA)
where:
Base-Base interactions energy: -33.320
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.137
local terms energy: -63.389014
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -94.464651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.464651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.464651 (E_RNA)
where:
Base-Base interactions energy: -33.167
where: short stacking energy: -33.167
Base-Backbone interact. energy: 0.168
local terms energy: -61.465333
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -4.380
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: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -263.853341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.853341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.853341 (E_RNA)
where:
Base-Base interactions energy: -173.521
where: short stacking energy: -67.015
Base-Backbone interact. energy: -1.051
local terms energy: -89.281753
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -21.519
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: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -223.177309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.177309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.177309 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -71.808
Base-Backbone interact. energy: 0.568
local terms energy: -83.809853
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -212.630400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.630400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.630400 (E_RNA)
where:
Base-Base interactions energy: -134.207
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.443
local terms energy: -77.980663
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -206.253079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.253079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.253079 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -58.248
Base-Backbone interact. energy: -0.003
local terms energy: -90.119951
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -21.195
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: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -200.604957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.604957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.604957 (E_RNA)
where:
Base-Base interactions energy: -128.935
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.179
local terms energy: -71.491162
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -20.334
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: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -200.107666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.107666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.107666 (E_RNA)
where:
Base-Base interactions energy: -122.177
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.054
local terms energy: -77.876844
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -16.573
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: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -186.455767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.455767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.455767 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.060
local terms energy: -69.691867
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -98.233834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.233834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.233834 (E_RNA)
where:
Base-Base interactions energy: -35.528
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.066
local terms energy: -62.640540
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.924
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: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -85.048060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048060 (E_RNA)
where:
Base-Base interactions energy: -17.033
where: short stacking energy: -17.033
Base-Backbone interact. energy: -0.143
local terms energy: -67.871588
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -103.776074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.776074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.776074 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -31.406
Base-Backbone interact. energy: -0.555
local terms energy: -62.448630
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -10.124
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -3.310
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -267.790375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.790375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.790375 (E_RNA)
where:
Base-Base interactions energy: -190.819
where: short stacking energy: -74.900
Base-Backbone interact. energy: 0.427
local terms energy: -77.398191
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -222.342309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.342309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.342309 (E_RNA)
where:
Base-Base interactions energy: -140.341
where: short stacking energy: -72.947
Base-Backbone interact. energy: -0.084
local terms energy: -81.917453
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -19.749
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: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -201.687844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.687844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.687844 (E_RNA)
where:
Base-Base interactions energy: -123.517
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.111
local terms energy: -78.059530
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -13.712
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: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -202.127505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127505 (E_RNA)
where:
Base-Base interactions energy: -125.376
where: short stacking energy: -56.559
Base-Backbone interact. energy: -0.270
local terms energy: -76.481109
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -11.997
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: 67
Temperature: 1.100000
Total energy: -215.056008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.056008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.056008 (E_RNA)
where:
Base-Base interactions energy: -127.947
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.219
local terms energy: -86.889432
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -205.874157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.874157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.874157 (E_RNA)
where:
Base-Base interactions energy: -126.287
where: short stacking energy: -54.953
Base-Backbone interact. energy: -0.011
local terms energy: -79.575409
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -180.863834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.863834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.863834 (E_RNA)
where:
Base-Base interactions energy: -107.905
where: short stacking energy: -51.945
Base-Backbone interact. energy: -0.163
local terms energy: -72.795343
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -13.456
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: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -102.610119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.610119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.610119 (E_RNA)
where:
Base-Base interactions energy: -50.031
where: short stacking energy: -34.576
Base-Backbone interact. energy: -0.008
local terms energy: -52.570942
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -91.252520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.252520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.252520 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -33.198
Base-Backbone interact. energy: 0.323
local terms energy: -58.377287
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -3.845
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: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -89.505706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505706 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.121
local terms energy: -58.543264
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -271.249172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.249172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.249172 (E_RNA)
where:
Base-Base interactions energy: -184.640
where: short stacking energy: -74.232
Base-Backbone interact. energy: -0.815
local terms energy: -85.794190
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -232.673118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.673118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.673118 (E_RNA)
where:
Base-Base interactions energy: -144.129
where: short stacking energy: -78.829
Base-Backbone interact. energy: -0.303
local terms energy: -88.240977
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -23.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -205.693623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.693623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.693623 (E_RNA)
where:
Base-Base interactions energy: -126.739
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.102
local terms energy: -78.853482
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -201.107036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.107036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.107036 (E_RNA)
where:
Base-Base interactions energy: -130.021
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.084
local terms energy: -71.001671
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -16.432
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: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -206.737119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.737119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.737119 (E_RNA)
where:
Base-Base interactions energy: -125.091
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.181
local terms energy: -81.465424
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -190.859621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.859621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.859621 (E_RNA)
where:
Base-Base interactions energy: -123.074
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.036
local terms energy: -67.748962
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -9.298
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: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -188.640016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.640016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.640016 (E_RNA)
where:
Base-Base interactions energy: -112.745
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.208
local terms energy: -75.686641
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -139.740714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.740714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.740714 (E_RNA)
where:
Base-Base interactions energy: -81.840
where: short stacking energy: -35.254
Base-Backbone interact. energy: -0.505
local terms energy: -57.396033
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -10.127
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: 68
Temperature: 1.300000
Total energy: -91.172034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.172034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.172034 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -29.404
Base-Backbone interact. energy: -0.118
local terms energy: -55.286728
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -12.076
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: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -84.875733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.875733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.875733 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -29.657
Base-Backbone interact. energy: -0.139
local terms energy: -52.179847
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -270.797509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.797509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.797509 (E_RNA)
where:
Base-Base interactions energy: -192.109
where: short stacking energy: -76.148
Base-Backbone interact. energy: 0.177
local terms energy: -78.865723
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -12.136
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: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -221.376062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.376062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.376062 (E_RNA)
where:
Base-Base interactions energy: -136.812
where: short stacking energy: -75.555
Base-Backbone interact. energy: -0.391
local terms energy: -84.173306
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -17.868
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: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -224.469264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.469264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.469264 (E_RNA)
where:
Base-Base interactions energy: -134.801
where: short stacking energy: -76.527
Base-Backbone interact. energy: -0.044
local terms energy: -89.624665
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -215.494815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.494815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.494815 (E_RNA)
where:
Base-Base interactions energy: -135.344
where: short stacking energy: -70.835
Base-Backbone interact. energy: -0.001
local terms energy: -80.150137
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -185.811849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.811849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.811849 (E_RNA)
where:
Base-Base interactions energy: -121.608
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.107
local terms energy: -64.095984
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -203.386979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.386979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.386979 (E_RNA)
where:
Base-Base interactions energy: -128.963
where: short stacking energy: -62.205
Base-Backbone interact. energy: 0.668
local terms energy: -75.092276
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -13.727
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: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -200.384707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.384707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.384707 (E_RNA)
where:
Base-Base interactions energy: -115.191
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.074
local terms energy: -85.119935
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -157.347775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.347775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.347775 (E_RNA)
where:
Base-Base interactions energy: -97.121
where: short stacking energy: -44.559
Base-Backbone interact. energy: -0.591
local terms energy: -59.635016
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -101.473688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.473688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.473688 (E_RNA)
where:
Base-Base interactions energy: -45.599
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.241
local terms energy: -55.634267
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -7.739
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -90.780355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.780355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.780355 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -29.181
Base-Backbone interact. energy: 0.366
local terms energy: -48.015292
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -227.479367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.479367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.479367 (E_RNA)
where:
Base-Base interactions energy: -145.840
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.968
local terms energy: -80.670538
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -268.204617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.204617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.204617 (E_RNA)
where:
Base-Base interactions energy: -181.185
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.591
local terms energy: -86.428419
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -208.411541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.411541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.411541 (E_RNA)
where:
Base-Base interactions energy: -124.314
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.136
local terms energy: -83.961611
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -18.886
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: 70
Temperature: 1.050000
Total energy: -211.551444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.551444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.551444 (E_RNA)
where:
Base-Base interactions energy: -137.897
where: short stacking energy: -72.038
Base-Backbone interact. energy: 0.192
local terms energy: -73.846125
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -16.272
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: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -197.656819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.656819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.656819 (E_RNA)
where:
Base-Base interactions energy: -126.521
where: short stacking energy: -63.248
Base-Backbone interact. energy: -0.108
local terms energy: -71.027642
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -190.077704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.077704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.077704 (E_RNA)
where:
Base-Base interactions energy: -109.520
where: short stacking energy: -54.998
Base-Backbone interact. energy: -0.148
local terms energy: -80.410244
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -190.916586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.916586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.916586 (E_RNA)
where:
Base-Base interactions energy: -113.501
where: short stacking energy: -45.227
Base-Backbone interact. energy: -0.170
local terms energy: -77.246223
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -11.273
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: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -165.250256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.250256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.250256 (E_RNA)
where:
Base-Base interactions energy: -108.858
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.602
local terms energy: -55.789629
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -83.318078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318078 (E_RNA)
where:
Base-Base interactions energy: -28.272
where: short stacking energy: -28.272
Base-Backbone interact. energy: 0.016
local terms energy: -55.062530
where:
bonds (distance) C4'-P energy: -5.275
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: 1.075
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: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -89.079172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.079172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.079172 (E_RNA)
where:
Base-Base interactions energy: -29.419
where: short stacking energy: -27.263
Base-Backbone interact. energy: -0.179
local terms energy: -59.480594
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -226.869124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.869124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.869124 (E_RNA)
where:
Base-Base interactions energy: -146.217
where: short stacking energy: -73.731
Base-Backbone interact. energy: 0.336
local terms energy: -80.988212
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -9.719
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: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -269.599637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.599637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.599637 (E_RNA)
where:
Base-Base interactions energy: -188.195
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.383
local terms energy: -81.021281
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -218.725969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.725969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.725969 (E_RNA)
where:
Base-Base interactions energy: -133.344
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.003
local terms energy: -85.378267
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -12.149
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -210.368178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.368178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.368178 (E_RNA)
where:
Base-Base interactions energy: -131.976
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.036
local terms energy: -78.355645
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -201.618168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.618168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.618168 (E_RNA)
where:
Base-Base interactions energy: -123.902
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.094
local terms energy: -77.622306
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -211.717665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.717665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.717665 (E_RNA)
where:
Base-Base interactions energy: -131.006
where: short stacking energy: -64.327
Base-Backbone interact. energy: 1.925
local terms energy: -82.636735
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -192.626776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.626776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.626776 (E_RNA)
where:
Base-Base interactions energy: -120.117
where: short stacking energy: -59.761
Base-Backbone interact. energy: -0.266
local terms energy: -72.244532
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -169.894486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.894486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.894486 (E_RNA)
where:
Base-Base interactions energy: -102.578
where: short stacking energy: -47.409
Base-Backbone interact. energy: -0.333
local terms energy: -66.984117
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -115.525846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.525846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.525846 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -25.204
Base-Backbone interact. energy: -1.250
local terms energy: -74.342886
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -13.964
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: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -78.058187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.058187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.058187 (E_RNA)
where:
Base-Base interactions energy: -21.576
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.501
local terms energy: -55.981490
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -8.488
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: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -280.280716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.280716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.280716 (E_RNA)
where:
Base-Base interactions energy: -193.323
where: short stacking energy: -81.463
Base-Backbone interact. energy: 1.278
local terms energy: -88.236366
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -19.231
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: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -229.751935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.751935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.751935 (E_RNA)
where:
Base-Base interactions energy: -145.551
where: short stacking energy: -75.068
Base-Backbone interact. energy: -0.281
local terms energy: -83.919939
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -10.444
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: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -214.109653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.109653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.109653 (E_RNA)
where:
Base-Base interactions energy: -138.922
where: short stacking energy: -71.514
Base-Backbone interact. energy: -2.265
local terms energy: -72.922058
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -207.960348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.960348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.960348 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -59.105
Base-Backbone interact. energy: 0.231
local terms energy: -83.104743
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -14.091
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: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -206.690680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.690680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.690680 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -64.243
Base-Backbone interact. energy: -0.689
local terms energy: -82.040711
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -22.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -203.296387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.296387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.296387 (E_RNA)
where:
Base-Base interactions energy: -129.468
where: short stacking energy: -50.741
Base-Backbone interact. energy: -0.363
local terms energy: -73.465419
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.505
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: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -180.336921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.336921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.336921 (E_RNA)
where:
Base-Base interactions energy: -117.594
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.446
local terms energy: -62.296744
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -127.107117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.107117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.107117 (E_RNA)
where:
Base-Base interactions energy: -74.235
where: short stacking energy: -38.728
Base-Backbone interact. energy: -0.382
local terms energy: -52.490283
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -89.031649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.031649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.031649 (E_RNA)
where:
Base-Base interactions energy: -36.685
where: short stacking energy: -35.704
Base-Backbone interact. energy: -0.122
local terms energy: -52.224538
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -78.151738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.151738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.151738 (E_RNA)
where:
Base-Base interactions energy: -24.527
where: short stacking energy: -13.140
Base-Backbone interact. energy: -0.402
local terms energy: -53.223150
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -267.123727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.123727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.123727 (E_RNA)
where:
Base-Base interactions energy: -180.157
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.895
local terms energy: -86.072408
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -232.078124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.078124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078124 (E_RNA)
where:
Base-Base interactions energy: -157.296
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.112
local terms energy: -74.670029
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -13.513
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: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -217.584385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.584385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.584385 (E_RNA)
where:
Base-Base interactions energy: -133.732
where: short stacking energy: -67.196
Base-Backbone interact. energy: -0.347
local terms energy: -83.505599
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -203.143017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.143017 (E_RNA)
where:
Base-Base interactions energy: -127.927
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.180
local terms energy: -75.035421
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -203.454547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.454547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.454547 (E_RNA)
where:
Base-Base interactions energy: -130.772
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.902
local terms energy: -71.780021
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -207.741520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.741520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.741520 (E_RNA)
where:
Base-Base interactions energy: -135.260
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.224
local terms energy: -72.256933
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -173.979674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.979674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.979674 (E_RNA)
where:
Base-Base interactions energy: -107.151
where: short stacking energy: -48.460
Base-Backbone interact. energy: -1.127
local terms energy: -65.702158
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -101.745947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.745947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.745947 (E_RNA)
where:
Base-Base interactions energy: -42.760
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.254
local terms energy: -58.731985
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -86.481133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.481133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.481133 (E_RNA)
where:
Base-Base interactions energy: -32.443
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.138
local terms energy: -53.900670
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: 4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -85.430657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.430657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.430657 (E_RNA)
where:
Base-Base interactions energy: -23.562
where: short stacking energy: -20.525
Base-Backbone interact. energy: -0.197
local terms energy: -61.671233
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -254.862468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.862468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.862468 (E_RNA)
where:
Base-Base interactions energy: -167.002
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.617
local terms energy: -87.243153
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -232.288948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.288948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.288948 (E_RNA)
where:
Base-Base interactions energy: -153.785
where: short stacking energy: -61.888
Base-Backbone interact. energy: -0.286
local terms energy: -78.217658
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -220.784387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.784387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.784387 (E_RNA)
where:
Base-Base interactions energy: -143.901
where: short stacking energy: -68.328
Base-Backbone interact. energy: -0.283
local terms energy: -76.600446
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -13.190
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: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -204.011749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.011749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.011749 (E_RNA)
where:
Base-Base interactions energy: -129.288
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.019
local terms energy: -74.704659
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -18.071
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: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -202.011223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.011223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.011223 (E_RNA)
where:
Base-Base interactions energy: -126.503
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.722
local terms energy: -74.786018
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -16.739
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: 74
Temperature: 1.150000
Total energy: -199.208314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.208314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.208314 (E_RNA)
where:
Base-Base interactions energy: -120.161
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.693
local terms energy: -78.353834
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -99.256514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.256514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.256514 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.191
local terms energy: -62.959652
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.601
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: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -175.047943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.047943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.047943 (E_RNA)
where:
Base-Base interactions energy: -112.683
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.131
local terms energy: -62.233900
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -90.530421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.530421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.530421 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -31.881
Base-Backbone interact. energy: -0.364
local terms energy: -58.285153
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -6.259
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: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -82.908204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.908204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.908204 (E_RNA)
where:
Base-Base interactions energy: -25.317
where: short stacking energy: -25.317
Base-Backbone interact. energy: -0.278
local terms energy: -57.312664
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -261.590034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.590034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.590034 (E_RNA)
where:
Base-Base interactions energy: -174.747
where: short stacking energy: -78.543
Base-Backbone interact. energy: -0.545
local terms energy: -86.298157
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -24.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -212.015653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.015653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.015653 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.883
local terms energy: -80.481069
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -17.749
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: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -213.072934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072934 (E_RNA)
where:
Base-Base interactions energy: -130.759
where: short stacking energy: -65.334
Base-Backbone interact. energy: -2.432
local terms energy: -79.881188
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -222.277701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.277701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.277701 (E_RNA)
where:
Base-Base interactions energy: -144.026
where: short stacking energy: -65.355
Base-Backbone interact. energy: -0.001
local terms energy: -78.251041
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -204.515290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.515290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.515290 (E_RNA)
where:
Base-Base interactions energy: -127.404
where: short stacking energy: -62.906
Base-Backbone interact. energy: -0.486
local terms energy: -76.625658
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.741
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: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -198.047577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.047577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.047577 (E_RNA)
where:
Base-Base interactions energy: -114.624
where: short stacking energy: -52.187
Base-Backbone interact. energy: -0.005
local terms energy: -83.419299
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -11.749
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: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -116.606321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.606321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.606321 (E_RNA)
where:
Base-Base interactions energy: -55.751
where: short stacking energy: -40.883
Base-Backbone interact. energy: 2.199
local terms energy: -63.054366
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -8.322
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: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -105.826724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.826724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.826724 (E_RNA)
where:
Base-Base interactions energy: -48.156
where: short stacking energy: -29.383
Base-Backbone interact. energy: -0.380
local terms energy: -57.291300
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -5.942
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: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -157.921086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.921086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.921086 (E_RNA)
where:
Base-Base interactions energy: -98.650
where: short stacking energy: -46.395
Base-Backbone interact. energy: 0.440
local terms energy: -59.710274
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -80.222605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.222605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.222605 (E_RNA)
where:
Base-Base interactions energy: -27.928
where: short stacking energy: -27.422
Base-Backbone interact. energy: -0.258
local terms energy: -52.035933
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: 3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -265.918674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.918674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.918674 (E_RNA)
where:
Base-Base interactions energy: -176.558
where: short stacking energy: -80.507
Base-Backbone interact. energy: -0.611
local terms energy: -88.749551
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -22.892
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -216.458133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.458133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.458133 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -60.816
Base-Backbone interact. energy: -0.061
local terms energy: -75.695909
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -207.340844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.340844 (E_RNA)
where:
Base-Base interactions energy: -120.106
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.010
local terms energy: -87.224999
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -19.147
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: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -210.156513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.156513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.156513 (E_RNA)
where:
Base-Base interactions energy: -126.846
where: short stacking energy: -64.590
Base-Backbone interact. energy: -0.713
local terms energy: -82.597466
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -12.792
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: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -199.317159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.317159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.317159 (E_RNA)
where:
Base-Base interactions energy: -122.127
where: short stacking energy: -62.733
Base-Backbone interact. energy: -0.008
local terms energy: -77.181923
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -191.097266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.097266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.097266 (E_RNA)
where:
Base-Base interactions energy: -117.080
where: short stacking energy: -57.554
Base-Backbone interact. energy: -0.299
local terms energy: -73.718933
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -111.521964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.521964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.521964 (E_RNA)
where:
Base-Base interactions energy: -44.277
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.037
local terms energy: -67.207888
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -13.174
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: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -113.861614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.861614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.861614 (E_RNA)
where:
Base-Base interactions energy: -44.798
where: short stacking energy: -37.934
Base-Backbone interact. energy: -0.908
local terms energy: -68.155065
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -94.563802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.563802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.563802 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -27.812
Base-Backbone interact. energy: 3.410
local terms energy: -59.106927
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -1.600
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: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -135.613873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.613873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.613873 (E_RNA)
where:
Base-Base interactions energy: -73.754
where: short stacking energy: -30.236
Base-Backbone interact. energy: -0.113
local terms energy: -61.747241
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -262.207254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.207254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.207254 (E_RNA)
where:
Base-Base interactions energy: -166.075
where: short stacking energy: -73.929
Base-Backbone interact. energy: -0.724
local terms energy: -95.408276
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -23.442
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: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -216.907787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.907787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.907787 (E_RNA)
where:
Base-Base interactions energy: -137.688
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.130
local terms energy: -79.090092
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -216.516184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.516184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.516184 (E_RNA)
where:
Base-Base interactions energy: -133.684
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.417
local terms energy: -82.415407
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -212.611163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.611163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.611163 (E_RNA)
where:
Base-Base interactions energy: -130.715
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.036
local terms energy: -81.860142
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -10.403
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: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -196.775973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.775973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.775973 (E_RNA)
where:
Base-Base interactions energy: -121.603
where: short stacking energy: -65.220
Base-Backbone interact. energy: -0.014
local terms energy: -75.159018
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -15.606
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: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -192.497148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.497148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.497148 (E_RNA)
where:
Base-Base interactions energy: -116.297
where: short stacking energy: -44.668
Base-Backbone interact. energy: -0.174
local terms energy: -76.025732
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.504
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: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -102.247282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.247282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.247282 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.260
local terms energy: -62.782727
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -133.199358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.199358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.199358 (E_RNA)
where:
Base-Base interactions energy: -71.610
where: short stacking energy: -28.525
Base-Backbone interact. energy: -0.469
local terms energy: -61.120018
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -88.831840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831840 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -22.959
Base-Backbone interact. energy: -0.087
local terms energy: -57.666216
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -135.969196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.969196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.969196 (E_RNA)
where:
Base-Base interactions energy: -79.769
where: short stacking energy: -43.188
Base-Backbone interact. energy: -0.706
local terms energy: -55.494339
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -224.568433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.568433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.568433 (E_RNA)
where:
Base-Base interactions energy: -134.686
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.906
local terms energy: -88.976411
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -271.473021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.473021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.473021 (E_RNA)
where:
Base-Base interactions energy: -185.802
where: short stacking energy: -74.801
Base-Backbone interact. energy: 0.045
local terms energy: -85.716241
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -211.414346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.414346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.414346 (E_RNA)
where:
Base-Base interactions energy: -134.350
where: short stacking energy: -71.653
Base-Backbone interact. energy: -0.778
local terms energy: -76.285656
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -8.067
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: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -217.243306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.243306 (E_RNA)
where:
Base-Base interactions energy: -128.825
where: short stacking energy: -70.130
Base-Backbone interact. energy: 0.834
local terms energy: -89.252329
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -15.308
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: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -217.346246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.346246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.346246 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.177
local terms energy: -79.052845
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -20.393
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: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -196.995702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.995702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.995702 (E_RNA)
where:
Base-Base interactions energy: -125.851
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.087
local terms energy: -71.057429
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -174.255669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.255669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.255669 (E_RNA)
where:
Base-Base interactions energy: -106.484
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.873
local terms energy: -66.898899
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -96.588060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.588060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.588060 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -26.943
Base-Backbone interact. energy: 0.232
local terms energy: -60.614312
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: 0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -128.617154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.617154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.617154 (E_RNA)
where:
Base-Base interactions energy: -72.184
where: short stacking energy: -42.798
Base-Backbone interact. energy: 0.213
local terms energy: -56.645959
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -82.994802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.994802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.994802 (E_RNA)
where:
Base-Base interactions energy: -42.980
where: short stacking energy: -32.818
Base-Backbone interact. energy: -0.695
local terms energy: -39.319657
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -0.179
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: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -224.767201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.767201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.767201 (E_RNA)
where:
Base-Base interactions energy: -134.797
where: short stacking energy: -70.153
Base-Backbone interact. energy: -0.345
local terms energy: -89.625980
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -256.190545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.190545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.190545 (E_RNA)
where:
Base-Base interactions energy: -178.031
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.018
local terms energy: -78.140864
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -214.043411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.043411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043411 (E_RNA)
where:
Base-Base interactions energy: -130.171
where: short stacking energy: -60.435
Base-Backbone interact. energy: 0.174
local terms energy: -84.046560
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -215.379155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.379155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.379155 (E_RNA)
where:
Base-Base interactions energy: -128.768
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.082
local terms energy: -86.528641
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -24.073
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: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -206.347870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.347870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.347870 (E_RNA)
where:
Base-Base interactions energy: -130.523
where: short stacking energy: -64.761
Base-Backbone interact. energy: -0.151
local terms energy: -75.673257
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -17.036
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: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -182.750808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.750808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.750808 (E_RNA)
where:
Base-Base interactions energy: -111.615
where: short stacking energy: -62.241
Base-Backbone interact. energy: -0.734
local terms energy: -70.401621
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -185.851356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.851356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.851356 (E_RNA)
where:
Base-Base interactions energy: -119.623
where: short stacking energy: -58.659
Base-Backbone interact. energy: -0.245
local terms energy: -65.983420
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -12.877
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: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -162.132587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.132587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.132587 (E_RNA)
where:
Base-Base interactions energy: -102.871
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.331
local terms energy: -58.930907
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: 1.577
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: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -85.686108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.686108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.686108 (E_RNA)
where:
Base-Base interactions energy: -33.236
where: short stacking energy: -26.066
Base-Backbone interact. energy: -0.180
local terms energy: -52.269482
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: 0.530
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: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -81.567173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.567173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.567173 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -36.839
Base-Backbone interact. energy: 0.532
local terms energy: -45.129742
where:
bonds (distance) C4'-P energy: -7.410
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -0.741
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -272.403777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.403777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.403777 (E_RNA)
where:
Base-Base interactions energy: -198.016
where: short stacking energy: -74.576
Base-Backbone interact. energy: -0.428
local terms energy: -73.959823
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -6.690
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: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -233.980829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.980829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.980829 (E_RNA)
where:
Base-Base interactions energy: -153.141
where: short stacking energy: -73.655
Base-Backbone interact. energy: -0.203
local terms energy: -80.637097
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -227.004637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.004637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.004637 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -74.643
Base-Backbone interact. energy: 0.314
local terms energy: -84.360161
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -209.370971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.370971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.370971 (E_RNA)
where:
Base-Base interactions energy: -133.349
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.001
local terms energy: -76.021805
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -20.761
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -217.875793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.875793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.875793 (E_RNA)
where:
Base-Base interactions energy: -138.649
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.099
local terms energy: -79.128029
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -10.239
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: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -183.239739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.239739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.239739 (E_RNA)
where:
Base-Base interactions energy: -116.519
where: short stacking energy: -47.214
Base-Backbone interact. energy: -0.121
local terms energy: -66.599158
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -191.277250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.277250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.277250 (E_RNA)
where:
Base-Base interactions energy: -116.395
where: short stacking energy: -55.618
Base-Backbone interact. energy: -0.749
local terms energy: -74.134100
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -172.111385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.111385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.111385 (E_RNA)
where:
Base-Base interactions energy: -106.868
where: short stacking energy: -50.996
Base-Backbone interact. energy: -0.690
local terms energy: -64.553118
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -96.106949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.106949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.106949 (E_RNA)
where:
Base-Base interactions energy: -42.255
where: short stacking energy: -21.210
Base-Backbone interact. energy: -0.097
local terms energy: -53.754791
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: 3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -80.943920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.943920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.943920 (E_RNA)
where:
Base-Base interactions energy: -26.762
where: short stacking energy: -26.762
Base-Backbone interact. energy: -0.758
local terms energy: -53.424181
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: 2.928
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: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -273.992919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.992919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.992919 (E_RNA)
where:
Base-Base interactions energy: -181.855
where: short stacking energy: -75.643
Base-Backbone interact. energy: -0.107
local terms energy: -92.031675
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -21.650
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: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -236.892359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.892359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.892359 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -67.906
Base-Backbone interact. energy: -0.048
local terms energy: -89.319404
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -214.293883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.293883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.293883 (E_RNA)
where:
Base-Base interactions energy: -138.290
where: short stacking energy: -64.734
Base-Backbone interact. energy: 0.100
local terms energy: -76.103372
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -222.418818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.418818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.418818 (E_RNA)
where:
Base-Base interactions energy: -134.191
where: short stacking energy: -72.054
Base-Backbone interact. energy: -0.005
local terms energy: -88.222846
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -199.246088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.246088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.246088 (E_RNA)
where:
Base-Base interactions energy: -127.704
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.579
local terms energy: -70.963565
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -13.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -182.854387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.854387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.854387 (E_RNA)
where:
Base-Base interactions energy: -120.560
where: short stacking energy: -54.414
Base-Backbone interact. energy: -0.485
local terms energy: -61.809262
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -15.306
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: 81
Temperature: 1.200000
Total energy: -176.241819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.241819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.241819 (E_RNA)
where:
Base-Base interactions energy: -110.191
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.989
local terms energy: -65.062182
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -12.805
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: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -163.443249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.443249 (E_RNA)
where:
Base-Base interactions energy: -109.611
where: short stacking energy: -45.497
Base-Backbone interact. energy: -0.139
local terms energy: -53.693497
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -104.144878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.144878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.144878 (E_RNA)
where:
Base-Base interactions energy: -42.737
where: short stacking energy: -32.578
Base-Backbone interact. energy: -0.292
local terms energy: -61.115017
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -82.870721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.870721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.870721 (E_RNA)
where:
Base-Base interactions energy: -28.432
where: short stacking energy: -17.065
Base-Backbone interact. energy: -0.223
local terms energy: -54.215294
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -274.990722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.990722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.990722 (E_RNA)
where:
Base-Base interactions energy: -188.285
where: short stacking energy: -70.941
Base-Backbone interact. energy: 1.237
local terms energy: -87.943054
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -229.006952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.006952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.006952 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.122
local terms energy: -85.188943
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -22.006
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -218.403484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.403484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.403484 (E_RNA)
where:
Base-Base interactions energy: -134.289
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.678
local terms energy: -83.435662
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -206.421195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.421195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.421195 (E_RNA)
where:
Base-Base interactions energy: -128.896
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.059
local terms energy: -77.466367
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -213.558274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.558274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.558274 (E_RNA)
where:
Base-Base interactions energy: -133.936
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.123
local terms energy: -79.499349
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -16.255
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: 82
Temperature: 1.150000
Total energy: -199.309800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.309800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.309800 (E_RNA)
where:
Base-Base interactions energy: -124.955
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.293
local terms energy: -74.062123
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -12.892
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: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -189.061257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.061257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.061257 (E_RNA)
where:
Base-Base interactions energy: -118.064
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.004
local terms energy: -70.993999
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -166.892049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.892049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.892049 (E_RNA)
where:
Base-Base interactions energy: -97.124
where: short stacking energy: -40.274
Base-Backbone interact. energy: -0.243
local terms energy: -69.524896
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -98.530051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.530051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.530051 (E_RNA)
where:
Base-Base interactions energy: -43.601
where: short stacking energy: -24.816
Base-Backbone interact. energy: -0.231
local terms energy: -54.698020
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -108.655150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.655150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.655150 (E_RNA)
where:
Base-Base interactions energy: -61.428
where: short stacking energy: -28.904
Base-Backbone interact. energy: -0.135
local terms energy: -47.091410
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -269.436102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.436102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.436102 (E_RNA)
where:
Base-Base interactions energy: -179.567
where: short stacking energy: -75.433
Base-Backbone interact. energy: 0.562
local terms energy: -90.431271
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -222.758585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.758585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.758585 (E_RNA)
where:
Base-Base interactions energy: -137.381
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.227
local terms energy: -85.150547
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -217.728290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.728290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.728290 (E_RNA)
where:
Base-Base interactions energy: -142.497
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.290
local terms energy: -74.941382
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -206.019913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.019913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.019913 (E_RNA)
where:
Base-Base interactions energy: -127.636
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.178
local terms energy: -78.206189
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -11.933
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: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -207.727893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.727893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.727893 (E_RNA)
where:
Base-Base interactions energy: -126.491
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.627
local terms energy: -80.610646
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -12.343
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: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -202.642148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.642148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.642148 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -57.687
Base-Backbone interact. energy: -0.521
local terms energy: -75.331488
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -9.684
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: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -182.155341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.155341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.155341 (E_RNA)
where:
Base-Base interactions energy: -109.032
where: short stacking energy: -47.213
Base-Backbone interact. energy: 0.307
local terms energy: -73.429800
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -150.683951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.683951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.683951 (E_RNA)
where:
Base-Base interactions energy: -86.045
where: short stacking energy: -38.925
Base-Backbone interact. energy: -0.366
local terms energy: -64.272741
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -85.187169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.187169 (E_RNA)
where:
Base-Base interactions energy: -28.011
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.100
local terms energy: -57.076232
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -2.831
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -110.708723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.708723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.708723 (E_RNA)
where:
Base-Base interactions energy: -73.880
where: short stacking energy: -20.633
Base-Backbone interact. energy: 1.704
local terms energy: -38.533076
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -6.745
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: 1.995
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: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -273.356157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.356157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.356157 (E_RNA)
where:
Base-Base interactions energy: -183.859
where: short stacking energy: -73.900
Base-Backbone interact. energy: -0.723
local terms energy: -88.773718
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -23.945
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -219.825052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.825052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.825052 (E_RNA)
where:
Base-Base interactions energy: -137.573
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.663
local terms energy: -81.588486
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -216.353975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.353975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.353975 (E_RNA)
where:
Base-Base interactions energy: -143.768
where: short stacking energy: -61.570
Base-Backbone interact. energy: -0.144
local terms energy: -72.442170
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -214.801422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.801422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801422 (E_RNA)
where:
Base-Base interactions energy: -135.617
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.067
local terms energy: -79.117223
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -209.669983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.669983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.669983 (E_RNA)
where:
Base-Base interactions energy: -128.393
where: short stacking energy: -60.905
Base-Backbone interact. energy: -0.117
local terms energy: -81.159952
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -13.542
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: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -202.721764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.721764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.721764 (E_RNA)
where:
Base-Base interactions energy: -117.008
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.015
local terms energy: -85.698567
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -175.732710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.732710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.732710 (E_RNA)
where:
Base-Base interactions energy: -108.894
where: short stacking energy: -55.594
Base-Backbone interact. energy: -1.252
local terms energy: -65.586960
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -10.521
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: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -186.783917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.783917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.783917 (E_RNA)
where:
Base-Base interactions energy: -107.521
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.861
local terms energy: -78.401924
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -16.911
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: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -101.444683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.444683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.444683 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -36.507
Base-Backbone interact. energy: -1.107
local terms energy: -62.688793
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -7.757
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: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -83.696700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.696700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.696700 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -23.384
Base-Backbone interact. energy: -0.072
local terms energy: -52.843612
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -259.685221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.685221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.685221 (E_RNA)
where:
Base-Base interactions energy: -173.322
where: short stacking energy: -68.063
Base-Backbone interact. energy: -1.100
local terms energy: -85.263318
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -19.225
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: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -222.406187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.406187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.406187 (E_RNA)
where:
Base-Base interactions energy: -143.252
where: short stacking energy: -68.014
Base-Backbone interact. energy: -0.040
local terms energy: -79.114555
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -214.988197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988197 (E_RNA)
where:
Base-Base interactions energy: -136.537
where: short stacking energy: -71.768
Base-Backbone interact. energy: -0.700
local terms energy: -77.750677
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -18.414
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: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -202.373896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.373896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.373896 (E_RNA)
where:
Base-Base interactions energy: -128.942
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.064
local terms energy: -73.368047
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -205.333047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.333047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.333047 (E_RNA)
where:
Base-Base interactions energy: -124.925
where: short stacking energy: -55.489
Base-Backbone interact. energy: 0.538
local terms energy: -80.946475
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -210.151580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.151580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.151580 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -64.600
Base-Backbone interact. energy: -0.130
local terms energy: -73.346702
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -185.421559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.421559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.421559 (E_RNA)
where:
Base-Base interactions energy: -112.665
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.097
local terms energy: -72.659283
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -3.428
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: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -189.336225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.336225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.336225 (E_RNA)
where:
Base-Base interactions energy: -113.688
where: short stacking energy: -53.214
Base-Backbone interact. energy: -0.915
local terms energy: -74.733843
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -119.344321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.344321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.344321 (E_RNA)
where:
Base-Base interactions energy: -52.906
where: short stacking energy: -42.681
Base-Backbone interact. energy: -0.511
local terms energy: -65.926554
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.442
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: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -93.302044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302044 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -36.301
Base-Backbone interact. energy: -0.055
local terms energy: -56.945791
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -269.377174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.377174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.377174 (E_RNA)
where:
Base-Base interactions energy: -173.874
where: short stacking energy: -77.419
Base-Backbone interact. energy: -0.535
local terms energy: -94.968039
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -15.288
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: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -225.917875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.917875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.917875 (E_RNA)
where:
Base-Base interactions energy: -152.003
where: short stacking energy: -73.428
Base-Backbone interact. energy: -0.246
local terms energy: -73.668411
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -216.596247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.596247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.596247 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.251
local terms energy: -86.296887
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -211.016239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.016239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.016239 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -65.554
Base-Backbone interact. energy: -0.127
local terms energy: -83.888320
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -200.247226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.247226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.247226 (E_RNA)
where:
Base-Base interactions energy: -126.558
where: short stacking energy: -46.465
Base-Backbone interact. energy: -0.411
local terms energy: -73.278073
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -8.720
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: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -195.695275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.695275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.695275 (E_RNA)
where:
Base-Base interactions energy: -120.588
where: short stacking energy: -63.246
Base-Backbone interact. energy: -1.350
local terms energy: -73.757695
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -16.401
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: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -178.537988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.537988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.537988 (E_RNA)
where:
Base-Base interactions energy: -117.600
where: short stacking energy: -46.843
Base-Backbone interact. energy: -0.320
local terms energy: -60.618068
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -7.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -181.951013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.951013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.951013 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.093
local terms energy: -66.227061
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -11.684
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: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -86.001750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.001750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.001750 (E_RNA)
where:
Base-Base interactions energy: -31.079
where: short stacking energy: -23.046
Base-Backbone interact. energy: -0.337
local terms energy: -54.585874
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -113.461171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.461171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.461171 (E_RNA)
where:
Base-Base interactions energy: -60.956
where: short stacking energy: -33.165
Base-Backbone interact. energy: -0.340
local terms energy: -52.164979
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -269.455627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.455627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.455627 (E_RNA)
where:
Base-Base interactions energy: -183.332
where: short stacking energy: -72.874
Base-Backbone interact. energy: 0.504
local terms energy: -86.627743
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -232.048847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.048847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.048847 (E_RNA)
where:
Base-Base interactions energy: -145.849
where: short stacking energy: -78.761
Base-Backbone interact. energy: -0.156
local terms energy: -86.043611
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -203.838444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.838444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.838444 (E_RNA)
where:
Base-Base interactions energy: -124.774
where: short stacking energy: -54.793
Base-Backbone interact. energy: -0.369
local terms energy: -78.696041
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -204.839958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.839958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.839958 (E_RNA)
where:
Base-Base interactions energy: -130.221
where: short stacking energy: -54.020
Base-Backbone interact. energy: -0.066
local terms energy: -74.553744
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -6.870
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: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -204.342732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.342732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.342732 (E_RNA)
where:
Base-Base interactions energy: -126.702
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.577
local terms energy: -77.062967
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -14.825
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: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -167.383117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.383117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.383117 (E_RNA)
where:
Base-Base interactions energy: -98.797
where: short stacking energy: -46.320
Base-Backbone interact. energy: -1.240
local terms energy: -67.345882
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -173.121932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.121932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.121932 (E_RNA)
where:
Base-Base interactions energy: -105.853
where: short stacking energy: -51.892
Base-Backbone interact. energy: -0.515
local terms energy: -66.753613
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -10.294
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: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -181.985175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.985175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.985175 (E_RNA)
where:
Base-Base interactions energy: -105.529
where: short stacking energy: -54.436
Base-Backbone interact. energy: 0.029
local terms energy: -76.485565
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -12.188
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: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -88.104409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104409 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -36.095
Base-Backbone interact. energy: -0.411
local terms energy: -51.598302
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -95.009473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009473 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -41.431
Base-Backbone interact. energy: -0.307
local terms energy: -53.270803
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -11.363
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: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -266.205854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.205854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.205854 (E_RNA)
where:
Base-Base interactions energy: -176.028
where: short stacking energy: -74.700
Base-Backbone interact. energy: 0.030
local terms energy: -90.207273
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -224.174864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.174864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.174864 (E_RNA)
where:
Base-Base interactions energy: -140.457
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.715
local terms energy: -83.003362
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -219.676768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.676768 (E_RNA)
where:
Base-Base interactions energy: -127.269
where: short stacking energy: -66.649
Base-Backbone interact. energy: -0.279
local terms energy: -92.128061
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -197.227987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.227987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.227987 (E_RNA)
where:
Base-Base interactions energy: -124.092
where: short stacking energy: -50.504
Base-Backbone interact. energy: -0.780
local terms energy: -72.355385
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -189.274295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.274295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.274295 (E_RNA)
where:
Base-Base interactions energy: -119.223
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.113
local terms energy: -69.938668
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -180.977301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.977301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.977301 (E_RNA)
where:
Base-Base interactions energy: -116.251
where: short stacking energy: -50.608
Base-Backbone interact. energy: -0.034
local terms energy: -64.691786
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -183.487298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.487298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.487298 (E_RNA)
where:
Base-Base interactions energy: -116.641
where: short stacking energy: -55.239
Base-Backbone interact. energy: -0.238
local terms energy: -66.608135
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -10.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -163.858045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.858045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858045 (E_RNA)
where:
Base-Base interactions energy: -97.123
where: short stacking energy: -47.325
Base-Backbone interact. energy: -0.719
local terms energy: -66.016405
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -14.870
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: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -98.669285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.669285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.669285 (E_RNA)
where:
Base-Base interactions energy: -47.867
where: short stacking energy: -20.816
Base-Backbone interact. energy: 1.210
local terms energy: -52.011982
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: 3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -93.722319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.722319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.722319 (E_RNA)
where:
Base-Base interactions energy: -36.925
where: short stacking energy: -24.243
Base-Backbone interact. energy: -0.091
local terms energy: -56.706144
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -273.000281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.000281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.000281 (E_RNA)
where:
Base-Base interactions energy: -179.121
where: short stacking energy: -73.500
Base-Backbone interact. energy: -0.585
local terms energy: -93.294680
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -22.256
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: 89
Temperature: 0.950000
Total energy: -212.034647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.034647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.034647 (E_RNA)
where:
Base-Base interactions energy: -124.921
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.083
local terms energy: -87.030500
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -14.655
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: 89
Temperature: 1.000000
Total energy: -210.443269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.443269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.443269 (E_RNA)
where:
Base-Base interactions energy: -134.951
where: short stacking energy: -65.434
Base-Backbone interact. energy: -0.090
local terms energy: -75.402852
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -210.242865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.242865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.242865 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -69.436
Base-Backbone interact. energy: -0.420
local terms energy: -78.416066
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -194.711803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.711803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.711803 (E_RNA)
where:
Base-Base interactions energy: -118.963
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.295
local terms energy: -75.453523
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -184.056074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.056074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.056074 (E_RNA)
where:
Base-Base interactions energy: -120.344
where: short stacking energy: -55.629
Base-Backbone interact. energy: -0.794
local terms energy: -62.917552
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -12.450
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: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -181.788095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.788095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.788095 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.348
local terms energy: -62.147127
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -180.538998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.538998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.538998 (E_RNA)
where:
Base-Base interactions energy: -110.855
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.108
local terms energy: -69.576072
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -13.634
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: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -100.353312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.353312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.353312 (E_RNA)
where:
Base-Base interactions energy: -46.372
where: short stacking energy: -30.621
Base-Backbone interact. energy: -0.377
local terms energy: -53.605067
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -82.758488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.758488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.758488 (E_RNA)
where:
Base-Base interactions energy: -29.199
where: short stacking energy: -24.890
Base-Backbone interact. energy: -0.189
local terms energy: -53.370973
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -266.368861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.368861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.368861 (E_RNA)
where:
Base-Base interactions energy: -174.788
where: short stacking energy: -73.939
Base-Backbone interact. energy: -0.508
local terms energy: -91.072681
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -218.387894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.387894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.387894 (E_RNA)
where:
Base-Base interactions energy: -138.057
where: short stacking energy: -65.491
Base-Backbone interact. energy: -0.764
local terms energy: -79.566558
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -210.909161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.909161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.909161 (E_RNA)
where:
Base-Base interactions energy: -120.923
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.107
local terms energy: -89.879174
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -19.500
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: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -204.938117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.938117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.938117 (E_RNA)
where:
Base-Base interactions energy: -126.495
where: short stacking energy: -59.870
Base-Backbone interact. energy: 1.254
local terms energy: -79.696698
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -14.875
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: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -192.796153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.796153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.796153 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -58.971
Base-Backbone interact. energy: -1.083
local terms energy: -76.654729
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -13.709
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: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -192.787872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.787872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.787872 (E_RNA)
where:
Base-Base interactions energy: -115.994
where: short stacking energy: -54.608
Base-Backbone interact. energy: -0.500
local terms energy: -76.294595
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -183.755141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.755141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.755141 (E_RNA)
where:
Base-Base interactions energy: -121.176
where: short stacking energy: -50.047
Base-Backbone interact. energy: -0.261
local terms energy: -62.317917
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -9.728
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -166.599063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.599063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.599063 (E_RNA)
where:
Base-Base interactions energy: -104.461
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.337
local terms energy: -61.801279
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -83.837349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.837349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.837349 (E_RNA)
where:
Base-Base interactions energy: -42.324
where: short stacking energy: -26.888
Base-Backbone interact. energy: 0.882
local terms energy: -42.394751
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: 5.552
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: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -89.937990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.937990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.937990 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -29.326
Base-Backbone interact. energy: -0.066
local terms energy: -59.958641
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -264.070911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.070911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.070911 (E_RNA)
where:
Base-Base interactions energy: -179.912
where: short stacking energy: -64.257
Base-Backbone interact. energy: -1.122
local terms energy: -83.037556
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -226.739027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739027 (E_RNA)
where:
Base-Base interactions energy: -133.013
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.038
local terms energy: -93.687973
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -214.107971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.107971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.107971 (E_RNA)
where:
Base-Base interactions energy: -133.195
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.004
local terms energy: -80.909000
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -14.033
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: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -217.938555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.938555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.938555 (E_RNA)
where:
Base-Base interactions energy: -133.413
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.005
local terms energy: -84.521524
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -204.345635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.345635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.345635 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -68.759
Base-Backbone interact. energy: -0.013
local terms energy: -72.219435
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -184.160916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.160916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.160916 (E_RNA)
where:
Base-Base interactions energy: -109.747
where: short stacking energy: -52.028
Base-Backbone interact. energy: -0.307
local terms energy: -74.106869
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -192.444766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.444766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.444766 (E_RNA)
where:
Base-Base interactions energy: -123.163
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.098
local terms energy: -69.183050
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -169.724569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.724569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.724569 (E_RNA)
where:
Base-Base interactions energy: -108.743
where: short stacking energy: -43.578
Base-Backbone interact. energy: -0.279
local terms energy: -60.702757
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -7.452
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: 91
Temperature: 1.300000
Total energy: -146.984770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.984770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.984770 (E_RNA)
where:
Base-Base interactions energy: -86.810
where: short stacking energy: -39.954
Base-Backbone interact. energy: -0.276
local terms energy: -59.899551
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -91.823117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823117 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.108
local terms energy: -54.573133
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -5.623
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: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -269.079230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.079230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.079230 (E_RNA)
where:
Base-Base interactions energy: -175.467
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.531
local terms energy: -93.081307
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -221.470012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.470012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.470012 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -71.044
Base-Backbone interact. energy: -0.646
local terms energy: -79.447814
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -228.016209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.016209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.016209 (E_RNA)
where:
Base-Base interactions energy: -154.792
where: short stacking energy: -76.212
Base-Backbone interact. energy: -0.027
local terms energy: -73.197263
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -209.959932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.959932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.959932 (E_RNA)
where:
Base-Base interactions energy: -140.853
where: short stacking energy: -70.082
Base-Backbone interact. energy: -0.173
local terms energy: -68.933855
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -13.882
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: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -211.633491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.633491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.633491 (E_RNA)
where:
Base-Base interactions energy: -132.251
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.949
local terms energy: -78.433269
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -11.069
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: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -193.538372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.538372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.538372 (E_RNA)
where:
Base-Base interactions energy: -117.386
where: short stacking energy: -54.322
Base-Backbone interact. energy: -0.081
local terms energy: -76.071327
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -13.537
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: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -184.978936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.978936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.978936 (E_RNA)
where:
Base-Base interactions energy: -122.204
where: short stacking energy: -52.348
Base-Backbone interact. energy: -0.598
local terms energy: -62.176741
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -195.288946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.288946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.288946 (E_RNA)
where:
Base-Base interactions energy: -128.620
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.087
local terms energy: -66.581513
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -5.397
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: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -130.773132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.773132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.773132 (E_RNA)
where:
Base-Base interactions energy: -65.447
where: short stacking energy: -34.518
Base-Backbone interact. energy: -0.529
local terms energy: -64.797762
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -3.235
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: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -112.850667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.850667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.850667 (E_RNA)
where:
Base-Base interactions energy: -49.657
where: short stacking energy: -36.528
Base-Backbone interact. energy: -0.385
local terms energy: -62.808783
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -278.804034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.804034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.804034 (E_RNA)
where:
Base-Base interactions energy: -186.796
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.582
local terms energy: -91.426302
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -21.662
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -233.932714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.932714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.932714 (E_RNA)
where:
Base-Base interactions energy: -148.168
where: short stacking energy: -74.299
Base-Backbone interact. energy: -0.161
local terms energy: -85.604216
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -25.868
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: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -209.345988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.345988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.345988 (E_RNA)
where:
Base-Base interactions energy: -125.752
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.107
local terms energy: -83.487210
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -211.531138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.531138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.531138 (E_RNA)
where:
Base-Base interactions energy: -129.922
where: short stacking energy: -57.148
Base-Backbone interact. energy: -0.191
local terms energy: -81.418150
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.463
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: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -205.908400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.908400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.908400 (E_RNA)
where:
Base-Base interactions energy: -132.700
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.663
local terms energy: -72.545730
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.762
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: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -177.726679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.726679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.726679 (E_RNA)
where:
Base-Base interactions energy: -104.385
where: short stacking energy: -50.147
Base-Backbone interact. energy: 1.245
local terms energy: -74.586748
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -168.574117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.574117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.574117 (E_RNA)
where:
Base-Base interactions energy: -105.557
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.605
local terms energy: -62.411902
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -176.909819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.909819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.909819 (E_RNA)
where:
Base-Base interactions energy: -117.493
where: short stacking energy: -47.753
Base-Backbone interact. energy: -0.915
local terms energy: -58.501852
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -10.455
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: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -153.987039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.987039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.987039 (E_RNA)
where:
Base-Base interactions energy: -93.705
where: short stacking energy: -51.630
Base-Backbone interact. energy: -0.146
local terms energy: -60.136236
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -81.975190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.975190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.975190 (E_RNA)
where:
Base-Base interactions energy: -31.209
where: short stacking energy: -30.342
Base-Backbone interact. energy: 1.990
local terms energy: -52.756077
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: 1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -267.604756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.604756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.604756 (E_RNA)
where:
Base-Base interactions energy: -180.631
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.879
local terms energy: -86.094454
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -222.572341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.572341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.572341 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -74.968
Base-Backbone interact. energy: -0.675
local terms energy: -81.307905
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -17.149
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: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -204.771322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.771322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.771322 (E_RNA)
where:
Base-Base interactions energy: -126.540
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.070
local terms energy: -78.161124
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -213.563222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.563222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.563222 (E_RNA)
where:
Base-Base interactions energy: -132.912
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.382
local terms energy: -80.268983
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -197.422486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.422486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.422486 (E_RNA)
where:
Base-Base interactions energy: -127.995
where: short stacking energy: -62.208
Base-Backbone interact. energy: 0.136
local terms energy: -69.563639
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -188.563631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.563631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.563631 (E_RNA)
where:
Base-Base interactions energy: -119.599
where: short stacking energy: -58.852
Base-Backbone interact. energy: -0.097
local terms energy: -68.868591
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -149.098248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.098248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.098248 (E_RNA)
where:
Base-Base interactions energy: -91.389
where: short stacking energy: -44.952
Base-Backbone interact. energy: -0.099
local terms energy: -57.610159
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -8.765
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: 94
Temperature: 1.250000
Total energy: -180.692120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.692120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.692120 (E_RNA)
where:
Base-Base interactions energy: -104.108
where: short stacking energy: -42.268
Base-Backbone interact. energy: -0.055
local terms energy: -76.528736
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -11.490
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: 94
Temperature: 1.300000
Total energy: -165.822155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.822155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.822155 (E_RNA)
where:
Base-Base interactions energy: -102.389
where: short stacking energy: -46.292
Base-Backbone interact. energy: 0.223
local terms energy: -63.655745
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -179.432458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.432458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.432458 (E_RNA)
where:
Base-Base interactions energy: -113.436
where: short stacking energy: -47.993
Base-Backbone interact. energy: -0.170
local terms energy: -65.825792
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -273.321939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.321939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.321939 (E_RNA)
where:
Base-Base interactions energy: -187.141
where: short stacking energy: -82.122
Base-Backbone interact. energy: -1.094
local terms energy: -85.087143
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -20.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -217.344290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.344290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.344290 (E_RNA)
where:
Base-Base interactions energy: -138.811
where: short stacking energy: -65.724
Base-Backbone interact. energy: -1.390
local terms energy: -77.143366
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.820
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: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -208.924656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.924656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.924656 (E_RNA)
where:
Base-Base interactions energy: -141.861
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.067
local terms energy: -66.997345
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -11.555
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -204.006897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.006897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.006897 (E_RNA)
where:
Base-Base interactions energy: -117.284
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.260
local terms energy: -86.462455
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -9.336
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: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -205.643606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.643606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.643606 (E_RNA)
where:
Base-Base interactions energy: -128.355
where: short stacking energy: -59.922
Base-Backbone interact. energy: -1.310
local terms energy: -75.978600
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -10.012
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: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -195.546199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.546199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.546199 (E_RNA)
where:
Base-Base interactions energy: -122.143
where: short stacking energy: -61.161
Base-Backbone interact. energy: -0.189
local terms energy: -73.214200
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -164.662526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.662526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.662526 (E_RNA)
where:
Base-Base interactions energy: -103.061
where: short stacking energy: -51.959
Base-Backbone interact. energy: -0.543
local terms energy: -61.059012
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.793
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: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -176.544118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.544118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.544118 (E_RNA)
where:
Base-Base interactions energy: -106.054
where: short stacking energy: -50.625
Base-Backbone interact. energy: -0.081
local terms energy: -70.408990
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -9.942
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: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -169.713200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.713200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.713200 (E_RNA)
where:
Base-Base interactions energy: -114.198
where: short stacking energy: -53.270
Base-Backbone interact. energy: -1.295
local terms energy: -54.219872
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -11.228
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: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -179.084565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.084565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.084565 (E_RNA)
where:
Base-Base interactions energy: -111.996
where: short stacking energy: -57.420
Base-Backbone interact. energy: -0.116
local terms energy: -66.971920
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -269.059717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.059717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.059717 (E_RNA)
where:
Base-Base interactions energy: -176.059
where: short stacking energy: -80.126
Base-Backbone interact. energy: -0.989
local terms energy: -92.011751
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -229.318406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.318406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.318406 (E_RNA)
where:
Base-Base interactions energy: -148.989
where: short stacking energy: -82.318
Base-Backbone interact. energy: -0.151
local terms energy: -80.178680
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -220.452327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.452327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.452327 (E_RNA)
where:
Base-Base interactions energy: -142.208
where: short stacking energy: -57.674
Base-Backbone interact. energy: 0.407
local terms energy: -78.651788
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -202.226374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.226374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.226374 (E_RNA)
where:
Base-Base interactions energy: -130.191
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.111
local terms energy: -71.924108
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -15.384
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: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -204.552527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.552527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.552527 (E_RNA)
where:
Base-Base interactions energy: -135.411
where: short stacking energy: -65.970
Base-Backbone interact. energy: -0.474
local terms energy: -68.667766
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -203.502753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.502753 (E_RNA)
where:
Base-Base interactions energy: -125.384
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.716
local terms energy: -77.402464
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -168.854822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.854822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.854822 (E_RNA)
where:
Base-Base interactions energy: -105.620
where: short stacking energy: -48.420
Base-Backbone interact. energy: 1.048
local terms energy: -64.282525
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -13.314
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: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -159.224261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.224261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.224261 (E_RNA)
where:
Base-Base interactions energy: -88.696
where: short stacking energy: -42.487
Base-Backbone interact. energy: -0.275
local terms energy: -70.253403
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -11.472
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: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -175.016745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.016745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.016745 (E_RNA)
where:
Base-Base interactions energy: -108.825
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.651
local terms energy: -65.540857
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -4.564
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: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -93.781791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.781791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.781791 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -23.320
Base-Backbone interact. energy: 0.775
local terms energy: -57.576155
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -1.642
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: 97
Temperature: 0.900000
Total energy: -267.801594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.801594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.801594 (E_RNA)
where:
Base-Base interactions energy: -187.002
where: short stacking energy: -74.136
Base-Backbone interact. energy: 0.254
local terms energy: -81.053839
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -216.889910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.889910 (E_RNA)
where:
Base-Base interactions energy: -135.041
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.318
local terms energy: -81.530836
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -238.592754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.592754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.592754 (E_RNA)
where:
Base-Base interactions energy: -155.219
where: short stacking energy: -82.630
Base-Backbone interact. energy: -0.030
local terms energy: -83.343699
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -21.444
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -209.641323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.641323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.641323 (E_RNA)
where:
Base-Base interactions energy: -122.186
where: short stacking energy: -61.962
Base-Backbone interact. energy: -0.038
local terms energy: -87.417698
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -206.169558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169558 (E_RNA)
where:
Base-Base interactions energy: -135.141
where: short stacking energy: -74.592
Base-Backbone interact. energy: -0.018
local terms energy: -71.010555
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -213.384422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.384422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.384422 (E_RNA)
where:
Base-Base interactions energy: -133.382
where: short stacking energy: -68.922
Base-Backbone interact. energy: 1.604
local terms energy: -81.606203
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -23.149
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: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -164.870817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.870817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.870817 (E_RNA)
where:
Base-Base interactions energy: -103.892
where: short stacking energy: -50.120
Base-Backbone interact. energy: -0.173
local terms energy: -60.806467
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -10.830
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: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -161.606787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.606787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.606787 (E_RNA)
where:
Base-Base interactions energy: -94.348
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.074
local terms energy: -67.184668
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -169.627215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.627215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.627215 (E_RNA)
where:
Base-Base interactions energy: -107.202
where: short stacking energy: -47.748
Base-Backbone interact. energy: -0.265
local terms energy: -62.159977
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -86.022729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022729 (E_RNA)
where:
Base-Base interactions energy: -27.430
where: short stacking energy: -27.430
Base-Backbone interact. energy: -0.117
local terms energy: -58.476029
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -10.697
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: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -269.192139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.192139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.192139 (E_RNA)
where:
Base-Base interactions energy: -182.457
where: short stacking energy: -74.798
Base-Backbone interact. energy: -0.586
local terms energy: -86.148787
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -219.845190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.845190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.845190 (E_RNA)
where:
Base-Base interactions energy: -131.690
where: short stacking energy: -66.543
Base-Backbone interact. energy: 0.192
local terms energy: -88.347195
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -210.738082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.738082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.738082 (E_RNA)
where:
Base-Base interactions energy: -131.930
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.095
local terms energy: -78.712603
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -218.673133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.673133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673133 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.240
local terms energy: -70.933233
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -200.389452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.389452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389452 (E_RNA)
where:
Base-Base interactions energy: -124.103
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.623
local terms energy: -75.663686
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -187.050574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.050574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.050574 (E_RNA)
where:
Base-Base interactions energy: -112.470
where: short stacking energy: -58.552
Base-Backbone interact. energy: -0.368
local terms energy: -74.212575
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -7.318
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: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -173.772396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.772396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.772396 (E_RNA)
where:
Base-Base interactions energy: -106.359
where: short stacking energy: -58.786
Base-Backbone interact. energy: 0.042
local terms energy: -67.455268
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -183.959790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.959790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.959790 (E_RNA)
where:
Base-Base interactions energy: -114.968
where: short stacking energy: -54.912
Base-Backbone interact. energy: -0.097
local terms energy: -68.895344
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -172.098336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.098336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.098336 (E_RNA)
where:
Base-Base interactions energy: -104.663
where: short stacking energy: -45.034
Base-Backbone interact. energy: -0.753
local terms energy: -66.681803
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -7.202
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: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -87.364692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.364692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.364692 (E_RNA)
where:
Base-Base interactions energy: -34.381
where: short stacking energy: -34.381
Base-Backbone interact. energy: -0.074
local terms energy: -52.908818
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -3.743
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -272.416131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.416131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.416131 (E_RNA)
where:
Base-Base interactions energy: -188.274
where: short stacking energy: -81.941
Base-Backbone interact. energy: -0.432
local terms energy: -83.709712
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -20.056
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: 99
Temperature: 0.950000
Total energy: -223.231464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231464 (E_RNA)
where:
Base-Base interactions energy: -135.799
where: short stacking energy: -72.649
Base-Backbone interact. energy: 0.090
local terms energy: -87.522544
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -216.338794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.338794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.338794 (E_RNA)
where:
Base-Base interactions energy: -128.334
where: short stacking energy: -68.061
Base-Backbone interact. energy: 0.304
local terms energy: -88.308136
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -208.778254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.778254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.778254 (E_RNA)
where:
Base-Base interactions energy: -136.831
where: short stacking energy: -73.344
Base-Backbone interact. energy: 0.166
local terms energy: -72.113363
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -16.073
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: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -205.059041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.059041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.059041 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.918
local terms energy: -81.788480
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -197.628666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.628666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.628666 (E_RNA)
where:
Base-Base interactions energy: -118.261
where: short stacking energy: -57.466
Base-Backbone interact. energy: -0.182
local terms energy: -79.185940
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -13.263
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: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -171.415978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.415978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.415978 (E_RNA)
where:
Base-Base interactions energy: -102.036
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.566
local terms energy: -68.814032
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -157.966402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.966402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.966402 (E_RNA)
where:
Base-Base interactions energy: -94.593
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.773
local terms energy: -62.599973
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -11.382
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: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -144.316831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.316831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.316831 (E_RNA)
where:
Base-Base interactions energy: -81.304
where: short stacking energy: -46.121
Base-Backbone interact. energy: -0.197
local terms energy: -62.815115
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -11.559
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: 99
Temperature: 1.350000
Total energy: -74.257063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.257063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.257063 (E_RNA)
where:
Base-Base interactions energy: -21.755
where: short stacking energy: -18.285
Base-Backbone interact. energy: 0.359
local terms energy: -52.861439
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -277.844872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.844872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.844872 (E_RNA)
where:
Base-Base interactions energy: -185.518
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.549
local terms energy: -91.777762
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -23.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -216.963954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.963954 (E_RNA)
where:
Base-Base interactions energy: -132.848
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.007
local terms energy: -84.108980
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -18.900
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: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -224.520717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.520717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.520717 (E_RNA)
where:
Base-Base interactions energy: -158.543
where: short stacking energy: -76.967
Base-Backbone interact. energy: -0.053
local terms energy: -65.924336
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -217.279029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.279029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.279029 (E_RNA)
where:
Base-Base interactions energy: -131.412
where: short stacking energy: -62.897
Base-Backbone interact. energy: -0.103
local terms energy: -85.764110
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -18.594
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: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -213.143319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.143319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.143319 (E_RNA)
where:
Base-Base interactions energy: -134.983
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.104
local terms energy: -78.056662
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -186.924591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.924591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.924591 (E_RNA)
where:
Base-Base interactions energy: -113.984
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.104
local terms energy: -72.836719
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -14.382
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: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -177.102725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.102725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.102725 (E_RNA)
where:
Base-Base interactions energy: -111.270
where: short stacking energy: -55.484
Base-Backbone interact. energy: 1.890
local terms energy: -67.723107
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -10.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -162.277174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.277174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.277174 (E_RNA)
where:
Base-Base interactions energy: -100.644
where: short stacking energy: -48.700
Base-Backbone interact. energy: -0.041
local terms energy: -61.592652
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -95.265901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.265901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.265901 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.056
local terms energy: -58.088863
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -122.495666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.495666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.495666 (E_RNA)
where:
Base-Base interactions energy: -65.177
where: short stacking energy: -23.721
Base-Backbone interact. energy: 0.706
local terms energy: -58.024503
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -9.778
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: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -269.429281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.429281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.429281 (E_RNA)
where:
Base-Base interactions energy: -188.510
where: short stacking energy: -82.453
Base-Backbone interact. energy: -0.620
local terms energy: -80.298845
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -25.242
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: 101
Temperature: 0.950000
Total energy: -221.328566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.328566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.328566 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -72.702
Base-Backbone interact. energy: -1.026
local terms energy: -76.499791
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -17.599
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -211.292589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.292589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.292589 (E_RNA)
where:
Base-Base interactions energy: -123.733
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.103
local terms energy: -87.456452
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -217.489160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.489160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.489160 (E_RNA)
where:
Base-Base interactions energy: -136.667
where: short stacking energy: -72.180
Base-Backbone interact. energy: -1.190
local terms energy: -79.632129
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -194.124529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.124529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.124529 (E_RNA)
where:
Base-Base interactions energy: -120.710
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.412
local terms energy: -73.001959
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -16.653
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: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -181.087372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.087372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.087372 (E_RNA)
where:
Base-Base interactions energy: -108.103
where: short stacking energy: -47.370
Base-Backbone interact. energy: -0.888
local terms energy: -72.096665
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -9.700
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: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -191.736008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.736008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.736008 (E_RNA)
where:
Base-Base interactions energy: -116.879
where: short stacking energy: -59.269
Base-Backbone interact. energy: -0.102
local terms energy: -74.754666
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -15.299
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: 101
Temperature: 1.250000
Total energy: -162.613780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.613780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.613780 (E_RNA)
where:
Base-Base interactions energy: -91.422
where: short stacking energy: -42.801
Base-Backbone interact. energy: -0.208
local terms energy: -70.984679
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -12.296
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: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -99.088699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.088699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.088699 (E_RNA)
where:
Base-Base interactions energy: -33.469
where: short stacking energy: -33.469
Base-Backbone interact. energy: -0.132
local terms energy: -65.488424
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -145.288398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.288398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.288398 (E_RNA)
where:
Base-Base interactions energy: -87.829
where: short stacking energy: -38.548
Base-Backbone interact. energy: -0.287
local terms energy: -57.172650
where:
bonds (distance) C4'-P energy: -4.590
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -15.624
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: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -268.494435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.494435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.494435 (E_RNA)
where:
Base-Base interactions energy: -186.301
where: short stacking energy: -69.072
Base-Backbone interact. energy: -1.076
local terms energy: -81.117550
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -225.193924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.193924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.193924 (E_RNA)
where:
Base-Base interactions energy: -145.377
where: short stacking energy: -75.811
Base-Backbone interact. energy: -0.307
local terms energy: -79.510107
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -19.530
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: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -226.074620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.074620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.074620 (E_RNA)
where:
Base-Base interactions energy: -143.940
where: short stacking energy: -73.559
Base-Backbone interact. energy: -0.358
local terms energy: -81.776419
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -219.320149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.320149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.320149 (E_RNA)
where:
Base-Base interactions energy: -143.086
where: short stacking energy: -59.156
Base-Backbone interact. energy: -0.036
local terms energy: -76.198106
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -198.583740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.583740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.583740 (E_RNA)
where:
Base-Base interactions energy: -118.458
where: short stacking energy: -59.540
Base-Backbone interact. energy: -0.268
local terms energy: -79.858457
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -15.481
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: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -198.342220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.342220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.342220 (E_RNA)
where:
Base-Base interactions energy: -126.031
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.376
local terms energy: -71.935085
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -18.287
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: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -179.662718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.662718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.662718 (E_RNA)
where:
Base-Base interactions energy: -104.529
where: short stacking energy: -49.761
Base-Backbone interact. energy: -0.314
local terms energy: -74.820650
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -180.025755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.025755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.025755 (E_RNA)
where:
Base-Base interactions energy: -111.808
where: short stacking energy: -56.116
Base-Backbone interact. energy: 0.500
local terms energy: -68.717863
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.522
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: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -183.441178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.441178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.441178 (E_RNA)
where:
Base-Base interactions energy: -113.434
where: short stacking energy: -53.888
Base-Backbone interact. energy: -0.853
local terms energy: -69.154618
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -13.613
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: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -87.600502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600502 (E_RNA)
where:
Base-Base interactions energy: -41.708
where: short stacking energy: -19.044
Base-Backbone interact. energy: 0.904
local terms energy: -46.796800
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: 3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -267.706110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.706110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.706110 (E_RNA)
where:
Base-Base interactions energy: -182.398
where: short stacking energy: -73.674
Base-Backbone interact. energy: -2.091
local terms energy: -83.217437
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -21.942
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: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -227.948684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.948684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.948684 (E_RNA)
where:
Base-Base interactions energy: -141.035
where: short stacking energy: -80.076
Base-Backbone interact. energy: -0.067
local terms energy: -86.846248
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -213.450892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.450892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.450892 (E_RNA)
where:
Base-Base interactions energy: -144.742
where: short stacking energy: -63.910
Base-Backbone interact. energy: -0.388
local terms energy: -68.321251
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -218.075740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.075740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.075740 (E_RNA)
where:
Base-Base interactions energy: -133.022
where: short stacking energy: -61.652
Base-Backbone interact. energy: -1.346
local terms energy: -83.708523
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -209.769811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.769811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.769811 (E_RNA)
where:
Base-Base interactions energy: -126.200
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.224
local terms energy: -83.346005
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -194.165708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.165708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.165708 (E_RNA)
where:
Base-Base interactions energy: -115.913
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.944
local terms energy: -77.308604
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -194.243862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.243862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.243862 (E_RNA)
where:
Base-Base interactions energy: -126.254
where: short stacking energy: -50.389
Base-Backbone interact. energy: -0.251
local terms energy: -67.739447
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -201.376572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.376572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.376572 (E_RNA)
where:
Base-Base interactions energy: -120.516
where: short stacking energy: -56.659
Base-Backbone interact. energy: -0.337
local terms energy: -80.523826
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -154.674382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.674382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.674382 (E_RNA)
where:
Base-Base interactions energy: -100.680
where: short stacking energy: -42.405
Base-Backbone interact. energy: 1.544
local terms energy: -55.538201
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -9.293
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: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -83.569120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.569120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.569120 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.336
local terms energy: -48.693422
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -273.832194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.832194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.832194 (E_RNA)
where:
Base-Base interactions energy: -186.024
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.325
local terms energy: -87.483393
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -22.162
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: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -231.269135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.269135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269135 (E_RNA)
where:
Base-Base interactions energy: -139.672
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.010
local terms energy: -91.586940
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -215.223958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.223958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.223958 (E_RNA)
where:
Base-Base interactions energy: -134.466
where: short stacking energy: -63.887
Base-Backbone interact. energy: -0.049
local terms energy: -80.708673
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -18.710
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: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -223.176532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.176532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.176532 (E_RNA)
where:
Base-Base interactions energy: -141.463
where: short stacking energy: -82.787
Base-Backbone interact. energy: -0.029
local terms energy: -81.684386
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -209.232339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232339 (E_RNA)
where:
Base-Base interactions energy: -130.600
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.953
local terms energy: -77.679963
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -200.452741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.452741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.452741 (E_RNA)
where:
Base-Base interactions energy: -119.170
where: short stacking energy: -58.517
Base-Backbone interact. energy: -0.326
local terms energy: -80.956536
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -13.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -191.632470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.632470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.632470 (E_RNA)
where:
Base-Base interactions energy: -124.006
where: short stacking energy: -58.616
Base-Backbone interact. energy: -1.183
local terms energy: -66.444029
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -181.376898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.376898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.376898 (E_RNA)
where:
Base-Base interactions energy: -115.291
where: short stacking energy: -54.279
Base-Backbone interact. energy: -0.287
local terms energy: -65.798516
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -11.720
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: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -94.555066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.555066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.555066 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -23.219
Base-Backbone interact. energy: -0.889
local terms energy: -49.472161
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -165.726437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.726437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.726437 (E_RNA)
where:
Base-Base interactions energy: -90.686
where: short stacking energy: -47.559
Base-Backbone interact. energy: -0.303
local terms energy: -74.737178
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -267.621493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.621493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.621493 (E_RNA)
where:
Base-Base interactions energy: -179.868
where: short stacking energy: -78.643
Base-Backbone interact. energy: -0.884
local terms energy: -86.870064
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -218.068512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.068512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.068512 (E_RNA)
where:
Base-Base interactions energy: -131.716
where: short stacking energy: -68.842
Base-Backbone interact. energy: 0.610
local terms energy: -86.962332
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -214.336341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.336341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.336341 (E_RNA)
where:
Base-Base interactions energy: -133.352
where: short stacking energy: -57.899
Base-Backbone interact. energy: -0.386
local terms energy: -80.598075
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -12.670
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -220.539128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.539128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.539128 (E_RNA)
where:
Base-Base interactions energy: -137.423
where: short stacking energy: -81.202
Base-Backbone interact. energy: -0.004
local terms energy: -83.112395
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -11.286
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: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -200.330483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.330483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.330483 (E_RNA)
where:
Base-Base interactions energy: -124.930
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.279
local terms energy: -75.120733
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -212.539756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.539756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.539756 (E_RNA)
where:
Base-Base interactions energy: -123.883
where: short stacking energy: -65.184
Base-Backbone interact. energy: -0.953
local terms energy: -87.703052
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -183.731871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.731871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.731871 (E_RNA)
where:
Base-Base interactions energy: -116.613
where: short stacking energy: -56.205
Base-Backbone interact. energy: -0.352
local terms energy: -66.766805
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -178.782426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.782426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.782426 (E_RNA)
where:
Base-Base interactions energy: -110.680
where: short stacking energy: -52.243
Base-Backbone interact. energy: -0.375
local terms energy: -67.727859
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -13.479
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: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -85.953500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953500 (E_RNA)
where:
Base-Base interactions energy: -35.684
where: short stacking energy: -29.516
Base-Backbone interact. energy: -0.122
local terms energy: -50.146782
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -0.357
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -150.141806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.141806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.141806 (E_RNA)
where:
Base-Base interactions energy: -88.775
where: short stacking energy: -42.565
Base-Backbone interact. energy: -0.111
local terms energy: -61.256262
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -271.813719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.813719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.813719 (E_RNA)
where:
Base-Base interactions energy: -183.631
where: short stacking energy: -75.284
Base-Backbone interact. energy: -0.491
local terms energy: -87.691643
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -221.887692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.887692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.887692 (E_RNA)
where:
Base-Base interactions energy: -142.005
where: short stacking energy: -76.232
Base-Backbone interact. energy: -0.115
local terms energy: -79.767672
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -221.627208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.627208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.627208 (E_RNA)
where:
Base-Base interactions energy: -141.734
where: short stacking energy: -68.408
Base-Backbone interact. energy: -0.005
local terms energy: -79.888251
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -12.907
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: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -203.493863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.493863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.493863 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -75.467
Base-Backbone interact. energy: -0.010
local terms energy: -71.926676
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -194.082289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.082289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.082289 (E_RNA)
where:
Base-Base interactions energy: -121.472
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.329
local terms energy: -72.280672
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -12.372
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: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -188.666769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.666769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.666769 (E_RNA)
where:
Base-Base interactions energy: -116.834
where: short stacking energy: -51.051
Base-Backbone interact. energy: -0.010
local terms energy: -71.822100
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -185.912536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.912536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912536 (E_RNA)
where:
Base-Base interactions energy: -116.110
where: short stacking energy: -48.988
Base-Backbone interact. energy: -0.013
local terms energy: -69.789803
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -7.503
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: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -195.673282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.673282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.673282 (E_RNA)
where:
Base-Base interactions energy: -121.033
where: short stacking energy: -56.187
Base-Backbone interact. energy: 0.723
local terms energy: -75.362983
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -8.695
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: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -160.737950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.737950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.737950 (E_RNA)
where:
Base-Base interactions energy: -98.705
where: short stacking energy: -50.130
Base-Backbone interact. energy: -0.478
local terms energy: -61.555208
where:
bonds (distance) C4'-P energy: -7.454
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -83.654054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.654054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.654054 (E_RNA)
where:
Base-Base interactions energy: -29.679
where: short stacking energy: -28.752
Base-Backbone interact. energy: -0.111
local terms energy: -53.864569
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: 1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -263.710303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.710303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.710303 (E_RNA)
where:
Base-Base interactions energy: -177.097
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.114
local terms energy: -86.498713
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -224.170106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.170106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.170106 (E_RNA)
where:
Base-Base interactions energy: -137.777
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.040
local terms energy: -86.353037
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -18.334
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: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -221.262265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.262265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.262265 (E_RNA)
where:
Base-Base interactions energy: -130.992
where: short stacking energy: -76.652
Base-Backbone interact. energy: 0.272
local terms energy: -90.542474
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -25.002
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: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -204.100646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.100646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.100646 (E_RNA)
where:
Base-Base interactions energy: -126.878
where: short stacking energy: -63.055
Base-Backbone interact. energy: -0.735
local terms energy: -76.487488
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -19.320
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: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -192.324540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.324540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.324540 (E_RNA)
where:
Base-Base interactions energy: -119.982
where: short stacking energy: -60.564
Base-Backbone interact. energy: -0.214
local terms energy: -72.129028
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -207.874692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.874692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.874692 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.002
local terms energy: -79.116621
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -186.198726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.198726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.198726 (E_RNA)
where:
Base-Base interactions energy: -118.165
where: short stacking energy: -55.875
Base-Backbone interact. energy: -0.062
local terms energy: -67.971892
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -10.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -187.048645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.048645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.048645 (E_RNA)
where:
Base-Base interactions energy: -119.916
where: short stacking energy: -57.495
Base-Backbone interact. energy: 1.007
local terms energy: -68.139889
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -12.201
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: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -179.030683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.030683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.030683 (E_RNA)
where:
Base-Base interactions energy: -104.338
where: short stacking energy: -59.592
Base-Backbone interact. energy: -0.587
local terms energy: -74.105684
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -8.940
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: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -83.481279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.481279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.481279 (E_RNA)
where:
Base-Base interactions energy: -30.845
where: short stacking energy: -27.711
Base-Backbone interact. energy: 1.314
local terms energy: -53.950463
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.286
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: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -266.680808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.680808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.680808 (E_RNA)
where:
Base-Base interactions energy: -178.717
where: short stacking energy: -76.223
Base-Backbone interact. energy: -0.942
local terms energy: -87.022147
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -18.686
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -223.487914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.487914 (E_RNA)
where:
Base-Base interactions energy: -140.568
where: short stacking energy: -70.296
Base-Backbone interact. energy: -0.556
local terms energy: -82.363360
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -11.136
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: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -203.373318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373318 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.123
local terms energy: -77.105399
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -13.157
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: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -208.919188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.919188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.919188 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -67.327
Base-Backbone interact. energy: 0.491
local terms energy: -82.714009
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -18.212
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -209.002643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.002643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.002643 (E_RNA)
where:
Base-Base interactions energy: -122.915
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.037
local terms energy: -86.050300
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -19.812
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: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -198.477924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.477924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.477924 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -49.350
Base-Backbone interact. energy: -0.571
local terms energy: -63.007653
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -11.955
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: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -176.457967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.457967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.457967 (E_RNA)
where:
Base-Base interactions energy: -98.235
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.346
local terms energy: -77.877104
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -178.259914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.259914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.259914 (E_RNA)
where:
Base-Base interactions energy: -109.965
where: short stacking energy: -54.022
Base-Backbone interact. energy: -0.127
local terms energy: -68.167750
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.741
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: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -160.527254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.527254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.527254 (E_RNA)
where:
Base-Base interactions energy: -108.337
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.069
local terms energy: -52.122015
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.204
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: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -80.807685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.807685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.807685 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.159
local terms energy: -45.922946
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -269.561787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.561787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.561787 (E_RNA)
where:
Base-Base interactions energy: -183.323
where: short stacking energy: -73.011
Base-Backbone interact. energy: -0.762
local terms energy: -85.476157
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -21.619
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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -218.590562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.590562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.590562 (E_RNA)
where:
Base-Base interactions energy: -138.509
where: short stacking energy: -72.706
Base-Backbone interact. energy: -0.543
local terms energy: -79.538236
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -10.057
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: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -184.287048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.287048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.287048 (E_RNA)
where:
Base-Base interactions energy: -110.909
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.054
local terms energy: -73.323838
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -203.349865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.349865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.349865 (E_RNA)
where:
Base-Base interactions energy: -125.864
where: short stacking energy: -61.166
Base-Backbone interact. energy: -0.093
local terms energy: -77.392902
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -10.455
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -195.716998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.716998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.716998 (E_RNA)
where:
Base-Base interactions energy: -123.204
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.615
local terms energy: -71.898396
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -190.646477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.646477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.646477 (E_RNA)
where:
Base-Base interactions energy: -121.023
where: short stacking energy: -64.380
Base-Backbone interact. energy: -1.012
local terms energy: -68.611754
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -177.926174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.926174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.926174 (E_RNA)
where:
Base-Base interactions energy: -110.766
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.329
local terms energy: -66.831565
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -9.978
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: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -172.729394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.729394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.729394 (E_RNA)
where:
Base-Base interactions energy: -108.534
where: short stacking energy: -49.015
Base-Backbone interact. energy: -0.116
local terms energy: -64.079691
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -13.089
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: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -179.480944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.480944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.480944 (E_RNA)
where:
Base-Base interactions energy: -116.912
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.024
local terms energy: -62.544800
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -88.894826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.894826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.894826 (E_RNA)
where:
Base-Base interactions energy: -32.172
where: short stacking energy: -20.865
Base-Backbone interact. energy: 0.250
local terms energy: -56.972828
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -3.839
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: 110
Temperature: 0.900000
Total energy: -273.878515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.878515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.878515 (E_RNA)
where:
Base-Base interactions energy: -181.606
where: short stacking energy: -71.621
Base-Backbone interact. energy: -0.277
local terms energy: -91.995101
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -224.412765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.412765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.412765 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.081
local terms energy: -85.766215
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -215.949629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.949629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.949629 (E_RNA)
where:
Base-Base interactions energy: -132.321
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.058
local terms energy: -83.571361
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -201.704690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.704690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.704690 (E_RNA)
where:
Base-Base interactions energy: -117.335
where: short stacking energy: -69.974
Base-Backbone interact. energy: -0.614
local terms energy: -83.755651
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -198.240833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.240833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.240833 (E_RNA)
where:
Base-Base interactions energy: -122.371
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.406
local terms energy: -75.463189
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -10.327
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: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -193.541905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.541905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.541905 (E_RNA)
where:
Base-Base interactions energy: -120.870
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.382
local terms energy: -72.289398
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -13.613
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: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -175.356199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.356199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.356199 (E_RNA)
where:
Base-Base interactions energy: -100.550
where: short stacking energy: -40.529
Base-Backbone interact. energy: -0.077
local terms energy: -74.728748
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -10.272
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: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -177.768883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.768883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.768883 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.742
local terms energy: -57.113429
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -6.995
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: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -186.119638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.119638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.119638 (E_RNA)
where:
Base-Base interactions energy: -122.528
where: short stacking energy: -59.881
Base-Backbone interact. energy: -0.023
local terms energy: -63.568683
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -14.350
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: 110
Temperature: 1.350000
Total energy: -102.433624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.433624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.433624 (E_RNA)
where:
Base-Base interactions energy: -43.877
where: short stacking energy: -34.315
Base-Backbone interact. energy: -0.345
local terms energy: -58.211106
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -276.355557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.355557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.355557 (E_RNA)
where:
Base-Base interactions energy: -194.854
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.566
local terms energy: -80.935618
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -235.383250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.383250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.383250 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.110
local terms energy: -82.625948
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -9.694
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: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -212.143187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.143187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.143187 (E_RNA)
where:
Base-Base interactions energy: -129.672
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.089
local terms energy: -82.381672
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -208.918538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.918538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.918538 (E_RNA)
where:
Base-Base interactions energy: -129.588
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.132
local terms energy: -79.199151
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -19.775
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: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -202.817814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.817814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.817814 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.804
local terms energy: -71.693219
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -204.293308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.293308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.293308 (E_RNA)
where:
Base-Base interactions energy: -127.253
where: short stacking energy: -64.343
Base-Backbone interact. energy: -0.342
local terms energy: -76.697402
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -147.550716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.550716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.550716 (E_RNA)
where:
Base-Base interactions energy: -78.667
where: short stacking energy: -48.905
Base-Backbone interact. energy: -0.060
local terms energy: -68.823314
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -7.315
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: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -181.107901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.107901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.107901 (E_RNA)
where:
Base-Base interactions energy: -115.410
where: short stacking energy: -50.512
Base-Backbone interact. energy: -0.456
local terms energy: -65.241302
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -13.102
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -177.159036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.159036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.159036 (E_RNA)
where:
Base-Base interactions energy: -104.257
where: short stacking energy: -50.540
Base-Backbone interact. energy: -0.017
local terms energy: -72.885565
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -83.914068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.914068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.914068 (E_RNA)
where:
Base-Base interactions energy: -26.912
where: short stacking energy: -26.739
Base-Backbone interact. energy: -0.107
local terms energy: -56.895142
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -272.178384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.178384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.178384 (E_RNA)
where:
Base-Base interactions energy: -184.244
where: short stacking energy: -64.760
Base-Backbone interact. energy: 1.164
local terms energy: -89.098526
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -20.296
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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -241.104794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.104794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.104794 (E_RNA)
where:
Base-Base interactions energy: -158.556
where: short stacking energy: -73.548
Base-Backbone interact. energy: -0.748
local terms energy: -81.799989
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -229.828312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.828312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.828312 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.599
local terms energy: -81.639714
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -19.413
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: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -209.168725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.168725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.168725 (E_RNA)
where:
Base-Base interactions energy: -136.222
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.027
local terms energy: -72.918966
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -178.824467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.824467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.824467 (E_RNA)
where:
Base-Base interactions energy: -109.033
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.071
local terms energy: -69.720589
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -10.060
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: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -197.832903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.832903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.832903 (E_RNA)
where:
Base-Base interactions energy: -129.409
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.369
local terms energy: -68.055132
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -197.912268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.912268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.912268 (E_RNA)
where:
Base-Base interactions energy: -130.697
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.002
local terms energy: -67.213756
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -141.417473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.417473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.417473 (E_RNA)
where:
Base-Base interactions energy: -75.222
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.554
local terms energy: -65.641510
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -8.256
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: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -164.835764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.835764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.835764 (E_RNA)
where:
Base-Base interactions energy: -112.852
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.299
local terms energy: -51.683815
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -7.010
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: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -94.097841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.097841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.097841 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -28.525
Base-Backbone interact. energy: 1.121
local terms energy: -55.338220
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -1.632
tors. eta vs tors. theta energy: -4.188
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: 113
Temperature: 0.900000
Total energy: -272.215995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.215995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.215995 (E_RNA)
where:
Base-Base interactions energy: -184.132
where: short stacking energy: -75.588
Base-Backbone interact. energy: -0.417
local terms energy: -87.667370
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -219.576448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.576448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.576448 (E_RNA)
where:
Base-Base interactions energy: -144.898
where: short stacking energy: -67.624
Base-Backbone interact. energy: -0.368
local terms energy: -74.310841
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -218.957300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.957300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.957300 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -73.768
Base-Backbone interact. energy: -0.017
local terms energy: -73.860904
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -192.301074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.301074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.301074 (E_RNA)
where:
Base-Base interactions energy: -114.805
where: short stacking energy: -60.022
Base-Backbone interact. energy: -0.524
local terms energy: -76.971772
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -14.948
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: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -199.244790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.244790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.244790 (E_RNA)
where:
Base-Base interactions energy: -113.804
where: short stacking energy: -60.184
Base-Backbone interact. energy: -2.245
local terms energy: -83.195487
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -194.528497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.528497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.528497 (E_RNA)
where:
Base-Base interactions energy: -124.222
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.326
local terms energy: -69.981144
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -179.569837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.569837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.569837 (E_RNA)
where:
Base-Base interactions energy: -113.089
where: short stacking energy: -53.377
Base-Backbone interact. energy: -0.143
local terms energy: -66.337366
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -7.366
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: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -139.570337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.570337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.570337 (E_RNA)
where:
Base-Base interactions energy: -77.336
where: short stacking energy: -40.040
Base-Backbone interact. energy: -0.112
local terms energy: -62.121630
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -164.184087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.184087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.184087 (E_RNA)
where:
Base-Base interactions energy: -99.886
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.198
local terms energy: -64.100346
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -101.770409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.770409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.770409 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.272
local terms energy: -62.653536
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -263.550538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.550538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.550538 (E_RNA)
where:
Base-Base interactions energy: -171.845
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.740
local terms energy: -90.965700
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -215.177673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.177673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.177673 (E_RNA)
where:
Base-Base interactions energy: -137.664
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.123
local terms energy: -77.390093
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -14.857
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: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -222.203044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.203044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.203044 (E_RNA)
where:
Base-Base interactions energy: -142.801
where: short stacking energy: -73.234
Base-Backbone interact. energy: -0.088
local terms energy: -79.313951
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -21.871
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: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -217.977967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.977967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977967 (E_RNA)
where:
Base-Base interactions energy: -136.064
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.187
local terms energy: -81.727213
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -203.740460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.740460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.740460 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -61.419
Base-Backbone interact. energy: -0.054
local terms energy: -74.285258
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -176.985602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.985602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.985602 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -48.087
Base-Backbone interact. energy: -0.169
local terms energy: -68.317677
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -182.882566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.882566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.882566 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -45.555
Base-Backbone interact. energy: -0.637
local terms energy: -71.759544
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -10.847
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: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -95.695941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.695941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.695941 (E_RNA)
where:
Base-Base interactions energy: -38.539
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.402
local terms energy: -56.754299
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -10.781
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: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -173.514377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.514377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.514377 (E_RNA)
where:
Base-Base interactions energy: -115.287
where: short stacking energy: -53.413
Base-Backbone interact. energy: 0.681
local terms energy: -58.909114
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -11.725
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: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -87.064786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064786 (E_RNA)
where:
Base-Base interactions energy: -36.342
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.079
local terms energy: -50.643879
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -3.103
tors. eta vs tors. theta energy: -2.981
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: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -271.977743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.977743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.977743 (E_RNA)
where:
Base-Base interactions energy: -178.810
where: short stacking energy: -76.624
Base-Backbone interact. energy: -0.481
local terms energy: -92.687120
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -226.727163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.727163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.727163 (E_RNA)
where:
Base-Base interactions energy: -142.411
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.042
local terms energy: -84.274274
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -214.634403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.634403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.634403 (E_RNA)
where:
Base-Base interactions energy: -136.772
where: short stacking energy: -61.666
Base-Backbone interact. energy: 0.239
local terms energy: -78.101806
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -217.238324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.238324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.238324 (E_RNA)
where:
Base-Base interactions energy: -135.982
where: short stacking energy: -60.548
Base-Backbone interact. energy: 1.553
local terms energy: -82.808949
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -20.855
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: 115
Temperature: 1.100000
Total energy: -198.620839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.620839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.620839 (E_RNA)
where:
Base-Base interactions energy: -125.256
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.038
local terms energy: -73.327123
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -193.857388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.857388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.857388 (E_RNA)
where:
Base-Base interactions energy: -119.025
where: short stacking energy: -61.389
Base-Backbone interact. energy: -0.095
local terms energy: -74.737340
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -184.301706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.301706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.301706 (E_RNA)
where:
Base-Base interactions energy: -104.884
where: short stacking energy: -55.417
Base-Backbone interact. energy: -0.373
local terms energy: -79.044996
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -166.841881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.841881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.841881 (E_RNA)
where:
Base-Base interactions energy: -102.386
where: short stacking energy: -52.354
Base-Backbone interact. energy: -0.386
local terms energy: -64.069153
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -10.042
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: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -85.347940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.347940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.347940 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.143
local terms energy: -43.058896
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: 5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -88.087107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.087107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.087107 (E_RNA)
where:
Base-Base interactions energy: -31.169
where: short stacking energy: -31.134
Base-Backbone interact. energy: -0.986
local terms energy: -55.932340
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -8.585
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: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -276.908786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.908786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.908786 (E_RNA)
where:
Base-Base interactions energy: -191.957
where: short stacking energy: -69.863
Base-Backbone interact. energy: -1.550
local terms energy: -83.401730
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -11.064
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: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -228.209784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.209784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.209784 (E_RNA)
where:
Base-Base interactions energy: -144.173
where: short stacking energy: -70.599
Base-Backbone interact. energy: 0.584
local terms energy: -84.620303
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -213.154430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.154430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.154430 (E_RNA)
where:
Base-Base interactions energy: -132.622
where: short stacking energy: -71.871
Base-Backbone interact. energy: -0.021
local terms energy: -80.511510
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -20.304
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: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -196.684367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.684367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.684367 (E_RNA)
where:
Base-Base interactions energy: -117.864
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.828
local terms energy: -77.991996
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -9.508
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: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -202.025441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.025441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.025441 (E_RNA)
where:
Base-Base interactions energy: -126.760
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.746
local terms energy: -74.519247
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -14.235
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: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -180.719075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.719075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.719075 (E_RNA)
where:
Base-Base interactions energy: -106.710
where: short stacking energy: -45.413
Base-Backbone interact. energy: -0.394
local terms energy: -73.614739
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -147.209187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.209187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.209187 (E_RNA)
where:
Base-Base interactions energy: -80.383
where: short stacking energy: -36.221
Base-Backbone interact. energy: -1.267
local terms energy: -65.559129
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -172.108017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.108017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.108017 (E_RNA)
where:
Base-Base interactions energy: -111.898
where: short stacking energy: -53.920
Base-Backbone interact. energy: -0.583
local terms energy: -59.627322
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -101.744463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.744463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.744463 (E_RNA)
where:
Base-Base interactions energy: -31.883
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.021
local terms energy: -69.840379
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -86.406432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.406432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.406432 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -34.326
Base-Backbone interact. energy: 1.532
local terms energy: -54.113104
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -9.801
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: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -271.820209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.820209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.820209 (E_RNA)
where:
Base-Base interactions energy: -181.060
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.458
local terms energy: -90.302438
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -23.502
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: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -220.993277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.993277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.993277 (E_RNA)
where:
Base-Base interactions energy: -130.494
where: short stacking energy: -65.482
Base-Backbone interact. energy: -0.777
local terms energy: -89.721482
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -20.616
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: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -220.773787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.773787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.773787 (E_RNA)
where:
Base-Base interactions energy: -133.606
where: short stacking energy: -74.442
Base-Backbone interact. energy: -0.005
local terms energy: -87.162040
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -205.719217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.719217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.719217 (E_RNA)
where:
Base-Base interactions energy: -122.522
where: short stacking energy: -59.592
Base-Backbone interact. energy: 0.369
local terms energy: -83.566593
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -14.390
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: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -197.380733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.380733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.380733 (E_RNA)
where:
Base-Base interactions energy: -122.665
where: short stacking energy: -55.776
Base-Backbone interact. energy: -0.067
local terms energy: -74.648223
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -183.385549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.385549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.385549 (E_RNA)
where:
Base-Base interactions energy: -109.418
where: short stacking energy: -51.130
Base-Backbone interact. energy: -0.165
local terms energy: -73.803065
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.510
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: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -185.475179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.475179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.475179 (E_RNA)
where:
Base-Base interactions energy: -119.512
where: short stacking energy: -49.976
Base-Backbone interact. energy: -0.256
local terms energy: -65.707210
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -169.756239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.756239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.756239 (E_RNA)
where:
Base-Base interactions energy: -106.324
where: short stacking energy: -47.444
Base-Backbone interact. energy: -0.117
local terms energy: -63.315056
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -100.353591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.353591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.353591 (E_RNA)
where:
Base-Base interactions energy: -45.335
where: short stacking energy: -25.985
Base-Backbone interact. energy: -0.041
local terms energy: -54.977495
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.440
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: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -87.500889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.500889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.500889 (E_RNA)
where:
Base-Base interactions energy: -39.827
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.965
local terms energy: -46.709272
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -266.241724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.241724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.241724 (E_RNA)
where:
Base-Base interactions energy: -184.441
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.635
local terms energy: -81.165902
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -17.408
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: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -228.477685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477685 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.467
local terms energy: -76.174389
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -222.401112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.401112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401112 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -79.801
Base-Backbone interact. energy: -0.602
local terms energy: -86.307298
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -12.360
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: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -213.650638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.650638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.650638 (E_RNA)
where:
Base-Base interactions energy: -129.995
where: short stacking energy: -63.175
Base-Backbone interact. energy: -0.140
local terms energy: -83.515679
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -199.565871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.565871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.565871 (E_RNA)
where:
Base-Base interactions energy: -128.998
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.097
local terms energy: -70.470758
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -14.825
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: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -191.432263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.432263 (E_RNA)
where:
Base-Base interactions energy: -119.270
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.530
local terms energy: -71.631840
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.297
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: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -175.615315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.615315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.615315 (E_RNA)
where:
Base-Base interactions energy: -101.763
where: short stacking energy: -54.403
Base-Backbone interact. energy: -0.094
local terms energy: -73.758552
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -8.775
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: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -189.978391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.978391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.978391 (E_RNA)
where:
Base-Base interactions energy: -120.139
where: short stacking energy: -60.304
Base-Backbone interact. energy: -1.424
local terms energy: -68.415090
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -98.771584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.771584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.771584 (E_RNA)
where:
Base-Base interactions energy: -43.635
where: short stacking energy: -42.706
Base-Backbone interact. energy: -0.195
local terms energy: -54.941384
where:
bonds (distance) C4'-P energy: -3.537
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -86.891004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.891004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.891004 (E_RNA)
where:
Base-Base interactions energy: -32.174
where: short stacking energy: -17.984
Base-Backbone interact. energy: -1.554
local terms energy: -53.162582
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -7.243
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -4.653
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: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -272.848029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.848029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.848029 (E_RNA)
where:
Base-Base interactions energy: -186.621
where: short stacking energy: -77.809
Base-Backbone interact. energy: 1.327
local terms energy: -87.553899
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -230.768630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.768630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.768630 (E_RNA)
where:
Base-Base interactions energy: -145.414
where: short stacking energy: -75.856
Base-Backbone interact. energy: -0.063
local terms energy: -85.292184
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -228.761056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.761056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.761056 (E_RNA)
where:
Base-Base interactions energy: -135.167
where: short stacking energy: -81.013
Base-Backbone interact. energy: -0.003
local terms energy: -93.590412
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -204.646469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.646469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.646469 (E_RNA)
where:
Base-Base interactions energy: -131.203
where: short stacking energy: -75.283
Base-Backbone interact. energy: -0.012
local terms energy: -73.431332
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -19.752
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: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -207.433560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.433560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.433560 (E_RNA)
where:
Base-Base interactions energy: -131.379
where: short stacking energy: -72.286
Base-Backbone interact. energy: 0.460
local terms energy: -76.514352
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -177.592674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.592674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.592674 (E_RNA)
where:
Base-Base interactions energy: -103.383
where: short stacking energy: -51.827
Base-Backbone interact. energy: -0.555
local terms energy: -73.655362
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -193.004311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.004311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.004311 (E_RNA)
where:
Base-Base interactions energy: -120.882
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.943
local terms energy: -71.179272
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -179.600674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.600674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.600674 (E_RNA)
where:
Base-Base interactions energy: -113.083
where: short stacking energy: -48.734
Base-Backbone interact. energy: -0.253
local terms energy: -66.264113
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -96.945076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.945076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.945076 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.211
local terms energy: -58.887991
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -79.619302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.619302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.619302 (E_RNA)
where:
Base-Base interactions energy: -30.866
where: short stacking energy: -18.074
Base-Backbone interact. energy: -0.288
local terms energy: -48.465233
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.060
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: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -270.475743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.475743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.475743 (E_RNA)
where:
Base-Base interactions energy: -190.934
where: short stacking energy: -76.579
Base-Backbone interact. energy: 0.058
local terms energy: -79.600319
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -227.530620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.530620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.530620 (E_RNA)
where:
Base-Base interactions energy: -146.187
where: short stacking energy: -73.140
Base-Backbone interact. energy: -0.079
local terms energy: -81.265437
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -226.083221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.083221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.083221 (E_RNA)
where:
Base-Base interactions energy: -134.379
where: short stacking energy: -65.125
Base-Backbone interact. energy: -0.867
local terms energy: -90.838084
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -201.458050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.458050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.458050 (E_RNA)
where:
Base-Base interactions energy: -121.160
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.287
local terms energy: -80.011383
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -9.522
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: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -207.510094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.510094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.510094 (E_RNA)
where:
Base-Base interactions energy: -133.742
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.909
local terms energy: -72.859098
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -21.935
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: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -188.856317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.856317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.856317 (E_RNA)
where:
Base-Base interactions energy: -113.519
where: short stacking energy: -59.906
Base-Backbone interact. energy: -0.180
local terms energy: -75.156939
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -13.930
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: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -195.764345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.764345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.764345 (E_RNA)
where:
Base-Base interactions energy: -118.762
where: short stacking energy: -59.052
Base-Backbone interact. energy: -0.492
local terms energy: -76.510472
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -190.127363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.127363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.127363 (E_RNA)
where:
Base-Base interactions energy: -118.211
where: short stacking energy: -60.720
Base-Backbone interact. energy: -0.022
local terms energy: -71.894854
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -17.297
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: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -89.518151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.518151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.518151 (E_RNA)
where:
Base-Base interactions energy: -30.765
where: short stacking energy: -29.078
Base-Backbone interact. energy: -0.090
local terms energy: -58.663179
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -98.899262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.899262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.899262 (E_RNA)
where:
Base-Base interactions energy: -35.494
where: short stacking energy: -26.533
Base-Backbone interact. energy: -0.830
local terms energy: -62.575493
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -268.610315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.610315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.610315 (E_RNA)
where:
Base-Base interactions energy: -185.190
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.934
local terms energy: -82.485689
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -18.203
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: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -234.899520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.899520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.899520 (E_RNA)
where:
Base-Base interactions energy: -146.677
where: short stacking energy: -76.239
Base-Backbone interact. energy: -0.326
local terms energy: -87.896787
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -20.277
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: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -227.065308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.065308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.065308 (E_RNA)
where:
Base-Base interactions energy: -134.561
where: short stacking energy: -80.098
Base-Backbone interact. energy: -0.220
local terms energy: -92.284005
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -210.437963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.437963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.437963 (E_RNA)
where:
Base-Base interactions energy: -126.727
where: short stacking energy: -71.544
Base-Backbone interact. energy: -0.019
local terms energy: -83.692512
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -21.530
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: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -200.049625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.049625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.049625 (E_RNA)
where:
Base-Base interactions energy: -135.564
where: short stacking energy: -73.136
Base-Backbone interact. energy: -0.004
local terms energy: -64.481417
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -16.873
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: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -193.957799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.957799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.957799 (E_RNA)
where:
Base-Base interactions energy: -118.759
where: short stacking energy: -50.064
Base-Backbone interact. energy: -0.606
local terms energy: -74.592931
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -200.900630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.900630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.900630 (E_RNA)
where:
Base-Base interactions energy: -129.737
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.269
local terms energy: -70.894854
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -9.021
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: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -187.546214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.546214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.546214 (E_RNA)
where:
Base-Base interactions energy: -116.437
where: short stacking energy: -54.194
Base-Backbone interact. energy: -0.091
local terms energy: -71.018938
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -11.811
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: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -94.022028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.022028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.022028 (E_RNA)
where:
Base-Base interactions energy: -36.649
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.192
local terms energy: -57.180562
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -82.905123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.905123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.905123 (E_RNA)
where:
Base-Base interactions energy: -39.327
where: short stacking energy: -25.227
Base-Backbone interact. energy: -1.581
local terms energy: -41.996712
where:
bonds (distance) C4'-P energy: -5.158
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -269.325212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.325212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.325212 (E_RNA)
where:
Base-Base interactions energy: -185.132
where: short stacking energy: -72.992
Base-Backbone interact. energy: -0.642
local terms energy: -83.551041
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -226.438730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.438730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.438730 (E_RNA)
where:
Base-Base interactions energy: -134.882
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.003
local terms energy: -91.554592
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -20.738
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: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -217.034650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.034650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.034650 (E_RNA)
where:
Base-Base interactions energy: -135.793
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.444
local terms energy: -80.797752
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -19.675
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: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -198.671407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.671407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.671407 (E_RNA)
where:
Base-Base interactions energy: -117.892
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.048
local terms energy: -80.731117
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -212.626660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.626660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.626660 (E_RNA)
where:
Base-Base interactions energy: -131.070
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.305
local terms energy: -81.252475
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -11.856
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: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -199.610976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.610976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.610976 (E_RNA)
where:
Base-Base interactions energy: -121.685
where: short stacking energy: -59.788
Base-Backbone interact. energy: -0.129
local terms energy: -77.796612
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -195.378888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.378888 (E_RNA)
where:
Base-Base interactions energy: -127.590
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.225
local terms energy: -67.564002
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -180.158886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.158886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.158886 (E_RNA)
where:
Base-Base interactions energy: -115.477
where: short stacking energy: -54.618
Base-Backbone interact. energy: -0.515
local terms energy: -64.166636
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -15.141
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: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -91.031789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.031789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.031789 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -34.583
Base-Backbone interact. energy: -0.122
local terms energy: -56.726786
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -89.941550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.941550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.941550 (E_RNA)
where:
Base-Base interactions energy: -25.142
where: short stacking energy: -24.669
Base-Backbone interact. energy: -0.221
local terms energy: -64.577949
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -9.013
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: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -271.854198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.854198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.854198 (E_RNA)
where:
Base-Base interactions energy: -180.478
where: short stacking energy: -74.586
Base-Backbone interact. energy: -0.961
local terms energy: -90.415462
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -219.279608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.279608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.279608 (E_RNA)
where:
Base-Base interactions energy: -142.758
where: short stacking energy: -64.697
Base-Backbone interact. energy: 0.014
local terms energy: -76.536226
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -219.393780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.393780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.393780 (E_RNA)
where:
Base-Base interactions energy: -134.539
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.005
local terms energy: -84.850362
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -23.139
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: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -217.703468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.703468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.703468 (E_RNA)
where:
Base-Base interactions energy: -133.787
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.433
local terms energy: -83.483211
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -209.711498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.711498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.711498 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -64.267
Base-Backbone interact. energy: -0.320
local terms energy: -78.981471
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -14.799
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: 6, replica: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -187.685469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.685469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.685469 (E_RNA)
where:
Base-Base interactions energy: -112.774
where: short stacking energy: -52.544
Base-Backbone interact. energy: -0.149
local terms energy: -74.763424
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -14.923
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: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -182.306733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.306733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.306733 (E_RNA)
where:
Base-Base interactions energy: -104.713
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.103
local terms energy: -77.490478
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -178.441179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.441179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.441179 (E_RNA)
where:
Base-Base interactions energy: -113.340
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.668
local terms energy: -64.433324
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -6.825
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: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -85.922780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.922780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.922780 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -28.133
Base-Backbone interact. energy: 0.092
local terms energy: -57.183628
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -83.079035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.079035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.079035 (E_RNA)
where:
Base-Base interactions energy: -26.727
where: short stacking energy: -21.240
Base-Backbone interact. energy: -0.149
local terms energy: -56.202468
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -267.965798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.965798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.965798 (E_RNA)
where:
Base-Base interactions energy: -173.959
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.602
local terms energy: -93.405302
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -22.683
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: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -218.516847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.516847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.516847 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.859
local terms energy: -77.922668
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -13.790
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: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -219.514795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.514795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.514795 (E_RNA)
where:
Base-Base interactions energy: -129.471
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.332
local terms energy: -89.711362
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -188.084736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.084736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.084736 (E_RNA)
where:
Base-Base interactions energy: -122.186
where: short stacking energy: -52.890
Base-Backbone interact. energy: 1.323
local terms energy: -67.221763
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -203.139068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.139068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.139068 (E_RNA)
where:
Base-Base interactions energy: -126.684
where: short stacking energy: -68.035
Base-Backbone interact. energy: 1.071
local terms energy: -77.526610
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -17.114
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: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -201.484298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.484298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.484298 (E_RNA)
where:
Base-Base interactions energy: -124.702
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.118
local terms energy: -76.664091
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -195.873032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.873032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.873032 (E_RNA)
where:
Base-Base interactions energy: -113.795
where: short stacking energy: -53.903
Base-Backbone interact. energy: -0.557
local terms energy: -81.520969
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -164.381840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.381840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.381840 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -52.354
Base-Backbone interact. energy: 0.721
local terms energy: -58.455871
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.414
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: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -81.487401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.487401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.487401 (E_RNA)
where:
Base-Base interactions energy: -29.653
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.093
local terms energy: -51.741328
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -0.741
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: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -84.280191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.280191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.280191 (E_RNA)
where:
Base-Base interactions energy: -14.674
where: short stacking energy: -12.660
Base-Backbone interact. energy: 0.005
local terms energy: -69.611591
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -268.593437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.593437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.593437 (E_RNA)
where:
Base-Base interactions energy: -182.614
where: short stacking energy: -84.348
Base-Backbone interact. energy: 3.605
local terms energy: -89.584521
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -24.324
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: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -229.530563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.530563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.530563 (E_RNA)
where:
Base-Base interactions energy: -145.558
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.242
local terms energy: -83.730552
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -224.042099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.042099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.042099 (E_RNA)
where:
Base-Base interactions energy: -145.646
where: short stacking energy: -79.105
Base-Backbone interact. energy: -1.338
local terms energy: -77.058261
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -193.849655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.849655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.849655 (E_RNA)
where:
Base-Base interactions energy: -127.802
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.382
local terms energy: -65.666320
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -203.117976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.117976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.117976 (E_RNA)
where:
Base-Base interactions energy: -142.720
where: short stacking energy: -62.097
Base-Backbone interact. energy: 1.696
local terms energy: -62.093914
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.620
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -198.535856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.535856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.535856 (E_RNA)
where:
Base-Base interactions energy: -126.424
where: short stacking energy: -66.917
Base-Backbone interact. energy: -1.308
local terms energy: -70.803748
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -186.699838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.699838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.699838 (E_RNA)
where:
Base-Base interactions energy: -111.987
where: short stacking energy: -44.527
Base-Backbone interact. energy: -0.295
local terms energy: -74.417264
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -190.486832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.486832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.486832 (E_RNA)
where:
Base-Base interactions energy: -118.617
where: short stacking energy: -66.643
Base-Backbone interact. energy: -0.105
local terms energy: -71.765282
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -9.384
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: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -82.723581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.723581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.723581 (E_RNA)
where:
Base-Base interactions energy: -22.492
where: short stacking energy: -15.905
Base-Backbone interact. energy: -0.248
local terms energy: -59.983353
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -88.652123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.652123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.652123 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -30.187
Base-Backbone interact. energy: -0.169
local terms energy: -58.041647
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.077
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: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -264.867548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.867548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.867548 (E_RNA)
where:
Base-Base interactions energy: -183.087
where: short stacking energy: -71.386
Base-Backbone interact. energy: -1.057
local terms energy: -80.724123
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -15.517
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: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -237.262231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.262231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.262231 (E_RNA)
where:
Base-Base interactions energy: -148.980
where: short stacking energy: -86.476
Base-Backbone interact. energy: -0.588
local terms energy: -87.694077
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -25.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -212.560280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.560280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.560280 (E_RNA)
where:
Base-Base interactions energy: -129.351
where: short stacking energy: -65.541
Base-Backbone interact. energy: -0.608
local terms energy: -82.600923
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -14.656
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: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -196.756576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.756576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.756576 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.075
local terms energy: -77.029292
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -12.574
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: 126
Temperature: 1.100000
Total energy: -199.815366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.815366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.815366 (E_RNA)
where:
Base-Base interactions energy: -135.196
where: short stacking energy: -63.488
Base-Backbone interact. energy: -0.340
local terms energy: -64.280000
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -198.174969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.174969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.174969 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.261
local terms energy: -78.246144
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -10.131
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: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -180.775712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.775712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.775712 (E_RNA)
where:
Base-Base interactions energy: -106.271
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.527
local terms energy: -73.977564
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -3.659
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: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -199.011082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.011082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.011082 (E_RNA)
where:
Base-Base interactions energy: -118.679
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.360
local terms energy: -79.971390
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -121.669960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.669960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.669960 (E_RNA)
where:
Base-Base interactions energy: -66.931
where: short stacking energy: -34.795
Base-Backbone interact. energy: -0.181
local terms energy: -54.557993
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -5.930
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: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -95.677334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.677334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.677334 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -31.634
Base-Backbone interact. energy: 0.066
local terms energy: -64.109761
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -270.772441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.772441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.772441 (E_RNA)
where:
Base-Base interactions energy: -182.698
where: short stacking energy: -82.836
Base-Backbone interact. energy: -0.327
local terms energy: -87.747176
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -222.235359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.235359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.235359 (E_RNA)
where:
Base-Base interactions energy: -141.723
where: short stacking energy: -64.149
Base-Backbone interact. energy: -0.740
local terms energy: -79.772124
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -14.593
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: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -218.361273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.361273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.361273 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -74.191
Base-Backbone interact. energy: -0.329
local terms energy: -77.063416
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -194.879693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.879693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.879693 (E_RNA)
where:
Base-Base interactions energy: -119.569
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.101
local terms energy: -75.209333
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -13.390
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: 127
Temperature: 1.100000
Total energy: -211.796364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.796364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.796364 (E_RNA)
where:
Base-Base interactions energy: -130.573
where: short stacking energy: -69.586
Base-Backbone interact. energy: 0.246
local terms energy: -81.468868
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -190.473318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.473318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.473318 (E_RNA)
where:
Base-Base interactions energy: -109.254
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.186
local terms energy: -81.033759
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -12.197
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: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -184.141430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.141430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.141430 (E_RNA)
where:
Base-Base interactions energy: -114.230
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.185
local terms energy: -69.725797
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -184.536512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.536512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.536512 (E_RNA)
where:
Base-Base interactions energy: -109.326
where: short stacking energy: -49.366
Base-Backbone interact. energy: -0.010
local terms energy: -75.199874
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -119.682634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.682634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.682634 (E_RNA)
where:
Base-Base interactions energy: -53.274
where: short stacking energy: -37.523
Base-Backbone interact. energy: -0.008
local terms energy: -66.400774
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -81.002217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.002217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.002217 (E_RNA)
where:
Base-Base interactions energy: -18.442
where: short stacking energy: -10.144
Base-Backbone interact. energy: -0.146
local terms energy: -62.414113
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: 2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -271.002532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.002532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.002532 (E_RNA)
where:
Base-Base interactions energy: -176.286
where: short stacking energy: -74.067
Base-Backbone interact. energy: 0.061
local terms energy: -94.777085
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -211.093854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.093854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.093854 (E_RNA)
where:
Base-Base interactions energy: -136.220
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.764
local terms energy: -74.109807
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -215.157585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.157585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.157585 (E_RNA)
where:
Base-Base interactions energy: -132.727
where: short stacking energy: -69.706
Base-Backbone interact. energy: -0.005
local terms energy: -82.425826
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -206.241087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.241087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.241087 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -60.702
Base-Backbone interact. energy: -0.688
local terms energy: -77.138320
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -8.469
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: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -202.456951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.456951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.456951 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.079
local terms energy: -76.963499
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -181.705278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.705278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.705278 (E_RNA)
where:
Base-Base interactions energy: -122.089
where: short stacking energy: -42.839
Base-Backbone interact. energy: -2.137
local terms energy: -57.479243
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -7.623
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: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -188.497091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.497091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.497091 (E_RNA)
where:
Base-Base interactions energy: -117.740
where: short stacking energy: -49.015
Base-Backbone interact. energy: -0.114
local terms energy: -70.643181
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -17.983
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: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -177.955258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.955258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.955258 (E_RNA)
where:
Base-Base interactions energy: -109.527
where: short stacking energy: -50.465
Base-Backbone interact. energy: -0.157
local terms energy: -68.271364
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -112.603445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.603445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.603445 (E_RNA)
where:
Base-Base interactions energy: -54.249
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.008
local terms energy: -58.346247
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -96.057309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.057309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.057309 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -37.395
Base-Backbone interact. energy: -0.159
local terms energy: -57.285817
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -271.674125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.674125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.674125 (E_RNA)
where:
Base-Base interactions energy: -182.500
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.498
local terms energy: -88.676983
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -245.595704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.595704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.595704 (E_RNA)
where:
Base-Base interactions energy: -163.526
where: short stacking energy: -76.062
Base-Backbone interact. energy: -0.035
local terms energy: -82.033967
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -223.093644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.093644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.093644 (E_RNA)
where:
Base-Base interactions energy: -144.097
where: short stacking energy: -78.651
Base-Backbone interact. energy: -0.013
local terms energy: -78.983039
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -212.876376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.876376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.876376 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.658
local terms energy: -76.659205
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -12.757
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: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -216.057559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.057559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.057559 (E_RNA)
where:
Base-Base interactions energy: -147.147
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.257
local terms energy: -68.652767
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -194.074533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.074533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.074533 (E_RNA)
where:
Base-Base interactions energy: -121.719
where: short stacking energy: -59.100
Base-Backbone interact. energy: 0.782
local terms energy: -73.137666
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -161.925140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.925140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.925140 (E_RNA)
where:
Base-Base interactions energy: -94.860
where: short stacking energy: -51.158
Base-Backbone interact. energy: -0.162
local terms energy: -66.903409
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -185.321452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.321452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.321452 (E_RNA)
where:
Base-Base interactions energy: -115.288
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.594
local terms energy: -69.438894
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -97.292869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.292869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.292869 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -20.232
Base-Backbone interact. energy: -0.321
local terms energy: -62.963247
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -87.747325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.747325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.747325 (E_RNA)
where:
Base-Base interactions energy: -35.960
where: short stacking energy: -22.885
Base-Backbone interact. energy: -0.715
local terms energy: -51.071648
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -10.996
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: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -272.848195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.848195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.848195 (E_RNA)
where:
Base-Base interactions energy: -190.802
where: short stacking energy: -74.757
Base-Backbone interact. energy: -0.182
local terms energy: -81.864512
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -19.244
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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -236.054716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.054716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.054716 (E_RNA)
where:
Base-Base interactions energy: -140.650
where: short stacking energy: -71.844
Base-Backbone interact. energy: -3.139
local terms energy: -92.265859
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -23.275
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: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -215.191703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.191703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.191703 (E_RNA)
where:
Base-Base interactions energy: -130.548
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.419
local terms energy: -84.224301
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -202.842722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.842722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.842722 (E_RNA)
where:
Base-Base interactions energy: -123.165
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.517
local terms energy: -79.159839
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -205.733958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.733958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.733958 (E_RNA)
where:
Base-Base interactions energy: -121.796
where: short stacking energy: -55.137
Base-Backbone interact. energy: -0.203
local terms energy: -83.735066
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -15.327
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: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -192.965856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.965856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.965856 (E_RNA)
where:
Base-Base interactions energy: -123.882
where: short stacking energy: -53.322
Base-Backbone interact. energy: 2.891
local terms energy: -71.974800
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -14.696
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: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -192.534206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.534206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.534206 (E_RNA)
where:
Base-Base interactions energy: -112.956
where: short stacking energy: -56.067
Base-Backbone interact. energy: -0.013
local terms energy: -79.564687
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -13.588
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: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -159.129495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.129495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.129495 (E_RNA)
where:
Base-Base interactions energy: -95.332
where: short stacking energy: -52.099
Base-Backbone interact. energy: -0.767
local terms energy: -63.030342
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -9.723
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: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -100.056808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.056808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.056808 (E_RNA)
where:
Base-Base interactions energy: -33.796
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.533
local terms energy: -65.727538
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -85.830116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.830116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.830116 (E_RNA)
where:
Base-Base interactions energy: -24.644
where: short stacking energy: -17.138
Base-Backbone interact. energy: -0.130
local terms energy: -61.056043
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -268.654609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.654609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.654609 (E_RNA)
where:
Base-Base interactions energy: -184.944
where: short stacking energy: -65.527
Base-Backbone interact. energy: 0.744
local terms energy: -84.454919
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -227.026419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.026419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.026419 (E_RNA)
where:
Base-Base interactions energy: -148.482
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.158
local terms energy: -78.386948
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -226.812517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.812517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.812517 (E_RNA)
where:
Base-Base interactions energy: -147.574
where: short stacking energy: -72.565
Base-Backbone interact. energy: -1.453
local terms energy: -77.785872
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -201.196052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.196052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.196052 (E_RNA)
where:
Base-Base interactions energy: -129.301
where: short stacking energy: -54.528
Base-Backbone interact. energy: -0.337
local terms energy: -71.558220
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -198.811850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.811850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.811850 (E_RNA)
where:
Base-Base interactions energy: -119.513
where: short stacking energy: -58.065
Base-Backbone interact. energy: -0.344
local terms energy: -78.954906
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.715
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: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -179.912523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.912523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.912523 (E_RNA)
where:
Base-Base interactions energy: -100.925
where: short stacking energy: -50.364
Base-Backbone interact. energy: -0.081
local terms energy: -78.905724
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -190.355043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.355043 (E_RNA)
where:
Base-Base interactions energy: -116.792
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.137
local terms energy: -73.425421
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -15.716
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: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -167.123433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.123433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.123433 (E_RNA)
where:
Base-Base interactions energy: -102.882
where: short stacking energy: -48.360
Base-Backbone interact. energy: -0.461
local terms energy: -63.780050
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -84.299109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299109 (E_RNA)
where:
Base-Base interactions energy: -25.700
where: short stacking energy: -25.700
Base-Backbone interact. energy: -0.147
local terms energy: -58.452269
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -3.065
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: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -86.680810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.680810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.680810 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -19.397
Base-Backbone interact. energy: -0.162
local terms energy: -54.723062
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -241.603158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.603158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.603158 (E_RNA)
where:
Base-Base interactions energy: -165.069
where: short stacking energy: -71.824
Base-Backbone interact. energy: -0.336
local terms energy: -76.198819
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.846
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: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -267.096841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.096841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.096841 (E_RNA)
where:
Base-Base interactions energy: -183.422
where: short stacking energy: -77.028
Base-Backbone interact. energy: 0.082
local terms energy: -83.756472
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -22.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -213.879743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.879743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.879743 (E_RNA)
where:
Base-Base interactions energy: -135.430
where: short stacking energy: -61.425
Base-Backbone interact. energy: -1.832
local terms energy: -76.617795
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -216.397494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.397494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.397494 (E_RNA)
where:
Base-Base interactions energy: -135.800
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.949
local terms energy: -79.648728
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -16.742
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: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -195.999282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.999282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.999282 (E_RNA)
where:
Base-Base interactions energy: -119.884
where: short stacking energy: -53.575
Base-Backbone interact. energy: -0.007
local terms energy: -76.107921
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -197.653439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.653439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.653439 (E_RNA)
where:
Base-Base interactions energy: -115.086
where: short stacking energy: -53.217
Base-Backbone interact. energy: 0.033
local terms energy: -82.600525
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -175.695241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.695241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.695241 (E_RNA)
where:
Base-Base interactions energy: -104.616
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.097
local terms energy: -70.982442
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -175.578972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.578972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.578972 (E_RNA)
where:
Base-Base interactions energy: -114.597
where: short stacking energy: -51.271
Base-Backbone interact. energy: 5.792
local terms energy: -66.773342
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -105.672927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.672927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.672927 (E_RNA)
where:
Base-Base interactions energy: -40.222
where: short stacking energy: -28.439
Base-Backbone interact. energy: 1.380
local terms energy: -66.830305
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -92.238414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.238414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.238414 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -32.774
Base-Backbone interact. energy: -0.129
local terms energy: -55.951971
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -243.119655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.119655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.119655 (E_RNA)
where:
Base-Base interactions energy: -162.123
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.158
local terms energy: -80.838070
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -263.359083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.359083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.359083 (E_RNA)
where:
Base-Base interactions energy: -178.750
where: short stacking energy: -74.687
Base-Backbone interact. energy: -1.530
local terms energy: -83.079168
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -218.046769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.046769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.046769 (E_RNA)
where:
Base-Base interactions energy: -133.064
where: short stacking energy: -74.200
Base-Backbone interact. energy: -0.642
local terms energy: -84.341180
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -16.725
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: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -193.253290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.253290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.253290 (E_RNA)
where:
Base-Base interactions energy: -120.543
where: short stacking energy: -56.947
Base-Backbone interact. energy: -0.490
local terms energy: -72.219840
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -11.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -209.075635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.075635 (E_RNA)
where:
Base-Base interactions energy: -131.944
where: short stacking energy: -55.727
Base-Backbone interact. energy: 0.287
local terms energy: -77.418548
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -14.920
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: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -197.605665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.605665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.605665 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.333
local terms energy: -78.515563
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -186.445527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.445527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.445527 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.384
local terms energy: -69.465990
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -14.639
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -184.945595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.945595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.945595 (E_RNA)
where:
Base-Base interactions energy: -109.823
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.093
local terms energy: -75.030026
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -16.680
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: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -110.466404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.466404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.466404 (E_RNA)
where:
Base-Base interactions energy: -54.784
where: short stacking energy: -43.931
Base-Backbone interact. energy: -0.781
local terms energy: -54.900837
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -5.688
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -80.511843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.511843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.511843 (E_RNA)
where:
Base-Base interactions energy: -33.989
where: short stacking energy: -33.989
Base-Backbone interact. energy: 0.151
local terms energy: -46.674271
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -267.345211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.345211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.345211 (E_RNA)
where:
Base-Base interactions energy: -178.401
where: short stacking energy: -78.340
Base-Backbone interact. energy: 0.471
local terms energy: -89.414965
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -227.709136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.709136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.709136 (E_RNA)
where:
Base-Base interactions energy: -155.546
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.351
local terms energy: -71.812148
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -218.324507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.324507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.324507 (E_RNA)
where:
Base-Base interactions energy: -137.920
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.036
local terms energy: -80.368417
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -198.676418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.676418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.676418 (E_RNA)
where:
Base-Base interactions energy: -120.080
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.113
local terms energy: -78.483640
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -198.342486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.342486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.342486 (E_RNA)
where:
Base-Base interactions energy: -114.616
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.155
local terms energy: -83.571160
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -16.762
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: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -186.566178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.566178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.566178 (E_RNA)
where:
Base-Base interactions energy: -115.871
where: short stacking energy: -56.066
Base-Backbone interact. energy: -0.543
local terms energy: -70.152559
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -11.853
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: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -180.837211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.837211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.837211 (E_RNA)
where:
Base-Base interactions energy: -105.345
where: short stacking energy: -49.333
Base-Backbone interact. energy: 0.289
local terms energy: -75.781388
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -11.920
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: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -194.661675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.661675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.661675 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -54.356
Base-Backbone interact. energy: -0.126
local terms energy: -72.468830
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -13.327
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: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -91.151433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.151433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.151433 (E_RNA)
where:
Base-Base interactions energy: -36.077
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.194
local terms energy: -54.880459
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -87.145674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.145674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.145674 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -33.879
Base-Backbone interact. energy: -0.366
local terms energy: -51.731060
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -264.159072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.159072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.159072 (E_RNA)
where:
Base-Base interactions energy: -177.618
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.650
local terms energy: -85.891499
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -234.745077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.745077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.745077 (E_RNA)
where:
Base-Base interactions energy: -153.358
where: short stacking energy: -76.476
Base-Backbone interact. energy: -0.247
local terms energy: -81.140256
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -219.912347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.912347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.912347 (E_RNA)
where:
Base-Base interactions energy: -139.685
where: short stacking energy: -70.184
Base-Backbone interact. energy: 0.137
local terms energy: -80.364240
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -17.157
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: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -198.624386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.624386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.624386 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -44.533
Base-Backbone interact. energy: -0.658
local terms energy: -66.305872
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -196.239334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.239334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.239334 (E_RNA)
where:
Base-Base interactions energy: -125.072
where: short stacking energy: -59.021
Base-Backbone interact. energy: -1.340
local terms energy: -69.827769
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -191.876137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.876137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.876137 (E_RNA)
where:
Base-Base interactions energy: -123.556
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.258
local terms energy: -68.062103
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -11.465
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: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -185.277906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.277906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.277906 (E_RNA)
where:
Base-Base interactions energy: -113.474
where: short stacking energy: -56.723
Base-Backbone interact. energy: -1.144
local terms energy: -70.660151
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -14.092
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: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -188.149499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.149499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.149499 (E_RNA)
where:
Base-Base interactions energy: -113.326
where: short stacking energy: -55.022
Base-Backbone interact. energy: 0.492
local terms energy: -75.315019
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.340
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: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -95.166669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.166669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.166669 (E_RNA)
where:
Base-Base interactions energy: -37.032
where: short stacking energy: -30.709
Base-Backbone interact. energy: 0.264
local terms energy: -58.399054
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -94.420736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.420736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.420736 (E_RNA)
where:
Base-Base interactions energy: -36.657
where: short stacking energy: -36.657
Base-Backbone interact. energy: 2.015
local terms energy: -59.779288
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -265.794552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.794552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.794552 (E_RNA)
where:
Base-Base interactions energy: -179.778
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.542
local terms energy: -85.475038
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -12.313
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: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -239.113457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.113457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.113457 (E_RNA)
where:
Base-Base interactions energy: -158.397
where: short stacking energy: -74.560
Base-Backbone interact. energy: -0.018
local terms energy: -80.698327
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -212.182072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.182072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.182072 (E_RNA)
where:
Base-Base interactions energy: -142.694
where: short stacking energy: -67.270
Base-Backbone interact. energy: -0.177
local terms energy: -69.311985
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -212.144342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.144342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.144342 (E_RNA)
where:
Base-Base interactions energy: -138.890
where: short stacking energy: -61.732
Base-Backbone interact. energy: 0.131
local terms energy: -73.385049
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -9.543
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: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -200.026612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.026612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.026612 (E_RNA)
where:
Base-Base interactions energy: -127.722
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.135
local terms energy: -72.169015
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -13.504
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: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -183.390020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.390020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.390020 (E_RNA)
where:
Base-Base interactions energy: -118.552
where: short stacking energy: -50.727
Base-Backbone interact. energy: 0.135
local terms energy: -64.973104
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -5.879
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: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -177.506422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.506422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.506422 (E_RNA)
where:
Base-Base interactions energy: -107.673
where: short stacking energy: -50.408
Base-Backbone interact. energy: 0.307
local terms energy: -70.139997
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -173.567887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.567887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.567887 (E_RNA)
where:
Base-Base interactions energy: -114.532
where: short stacking energy: -47.352
Base-Backbone interact. energy: -0.535
local terms energy: -58.501430
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -4.793
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: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -98.306657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.306657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.306657 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.336
local terms energy: -57.113067
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -89.722299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.722299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.722299 (E_RNA)
where:
Base-Base interactions energy: -28.557
where: short stacking energy: -22.427
Base-Backbone interact. energy: -0.263
local terms energy: -60.902459
where:
bonds (distance) C4'-P energy: -6.678
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -268.418120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.418120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.418120 (E_RNA)
where:
Base-Base interactions energy: -177.880
where: short stacking energy: -77.542
Base-Backbone interact. energy: -0.323
local terms energy: -90.215280
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -15.504
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: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -232.708776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.708776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.708776 (E_RNA)
where:
Base-Base interactions energy: -143.306
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.706
local terms energy: -88.696674
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -22.256
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: 137
Temperature: 1.000000
Total energy: -215.689306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.689306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.689306 (E_RNA)
where:
Base-Base interactions energy: -133.274
where: short stacking energy: -72.347
Base-Backbone interact. energy: -0.004
local terms energy: -82.411919
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -17.134
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: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -202.774196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.774196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.774196 (E_RNA)
where:
Base-Base interactions energy: -123.001
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.749
local terms energy: -79.024021
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -17.664
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: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -198.545587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.545587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.545587 (E_RNA)
where:
Base-Base interactions energy: -121.368
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.413
local terms energy: -76.764248
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -173.859132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.859132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.859132 (E_RNA)
where:
Base-Base interactions energy: -117.015
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.186
local terms energy: -56.658663
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -177.739096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.739096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.739096 (E_RNA)
where:
Base-Base interactions energy: -116.005
where: short stacking energy: -52.365
Base-Backbone interact. energy: -0.874
local terms energy: -60.859934
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -10.192
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: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -93.394932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.394932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.394932 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.145
local terms energy: -57.092029
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -100.539032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539032 (E_RNA)
where:
Base-Base interactions energy: -40.568
where: short stacking energy: -26.767
Base-Backbone interact. energy: 0.464
local terms energy: -60.434376
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.904
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: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -84.253217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.253217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.253217 (E_RNA)
where:
Base-Base interactions energy: -26.622
where: short stacking energy: -26.622
Base-Backbone interact. energy: -0.025
local terms energy: -57.606620
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -268.926031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.926031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.926031 (E_RNA)
where:
Base-Base interactions energy: -184.413
where: short stacking energy: -69.777
Base-Backbone interact. energy: 1.128
local terms energy: -85.640400
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -230.107234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107234 (E_RNA)
where:
Base-Base interactions energy: -142.365
where: short stacking energy: -78.578
Base-Backbone interact. energy: -0.307
local terms energy: -87.435070
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -24.518
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: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -215.113751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.113751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.113751 (E_RNA)
where:
Base-Base interactions energy: -134.792
where: short stacking energy: -72.429
Base-Backbone interact. energy: -0.013
local terms energy: -80.308715
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -215.680297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.680297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.680297 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -60.522
Base-Backbone interact. energy: 0.552
local terms energy: -74.293279
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -16.836
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: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -212.614362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.614362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.614362 (E_RNA)
where:
Base-Base interactions energy: -138.668
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.191
local terms energy: -73.755356
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -188.886579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.886579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.886579 (E_RNA)
where:
Base-Base interactions energy: -118.947
where: short stacking energy: -62.141
Base-Backbone interact. energy: -1.430
local terms energy: -68.510006
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -103.775279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.775279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.775279 (E_RNA)
where:
Base-Base interactions energy: -46.479
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.100
local terms energy: -57.195744
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -169.602251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.602251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.602251 (E_RNA)
where:
Base-Base interactions energy: -104.629
where: short stacking energy: -55.055
Base-Backbone interact. energy: 1.602
local terms energy: -66.574748
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -92.142813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.142813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.142813 (E_RNA)
where:
Base-Base interactions energy: -25.367
where: short stacking energy: -19.624
Base-Backbone interact. energy: -0.658
local terms energy: -66.118644
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -4.808
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: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -91.468468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.468468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.468468 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -26.887
Base-Backbone interact. energy: -0.347
local terms energy: -54.658760
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -278.067360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.067360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.067360 (E_RNA)
where:
Base-Base interactions energy: -192.655
where: short stacking energy: -79.975
Base-Backbone interact. energy: -0.514
local terms energy: -84.898856
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -217.407138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.407138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.407138 (E_RNA)
where:
Base-Base interactions energy: -133.413
where: short stacking energy: -61.782
Base-Backbone interact. energy: 0.197
local terms energy: -84.191988
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -21.165
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: 139
Temperature: 1.000000
Total energy: -221.377178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.377178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.377178 (E_RNA)
where:
Base-Base interactions energy: -140.188
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.358
local terms energy: -80.830998
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -16.654
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: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -221.602440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.602440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.602440 (E_RNA)
where:
Base-Base interactions energy: -135.503
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.522
local terms energy: -85.577487
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -196.657478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.657478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.657478 (E_RNA)
where:
Base-Base interactions energy: -114.203
where: short stacking energy: -58.873
Base-Backbone interact. energy: 0.269
local terms energy: -82.722751
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -17.838
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: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -197.622068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.622068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.622068 (E_RNA)
where:
Base-Base interactions energy: -125.009
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.388
local terms energy: -72.225485
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -116.720269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.720269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.720269 (E_RNA)
where:
Base-Base interactions energy: -52.083
where: short stacking energy: -36.438
Base-Backbone interact. energy: -1.229
local terms energy: -63.408288
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -175.513119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.513119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.513119 (E_RNA)
where:
Base-Base interactions energy: -106.837
where: short stacking energy: -46.109
Base-Backbone interact. energy: -0.151
local terms energy: -68.524778
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -101.193820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.193820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.193820 (E_RNA)
where:
Base-Base interactions energy: -40.847
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.015
local terms energy: -60.331759
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -3.655
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: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -90.329019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.329019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.329019 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.126
local terms energy: -50.313388
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: 1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -274.203959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.203959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.203959 (E_RNA)
where:
Base-Base interactions energy: -187.776
where: short stacking energy: -72.214
Base-Backbone interact. energy: -0.604
local terms energy: -85.823775
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -229.780210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.780210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.780210 (E_RNA)
where:
Base-Base interactions energy: -140.684
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.420
local terms energy: -88.676802
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -21.913
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: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -220.728705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.728705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.728705 (E_RNA)
where:
Base-Base interactions energy: -132.788
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.084
local terms energy: -87.856198
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -16.865
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: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -212.078816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.078816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.078816 (E_RNA)
where:
Base-Base interactions energy: -132.912
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.044
local terms energy: -79.122218
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -16.784
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -195.603162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.603162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.603162 (E_RNA)
where:
Base-Base interactions energy: -121.430
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.316
local terms energy: -73.857476
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -206.783107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.783107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.783107 (E_RNA)
where:
Base-Base interactions energy: -123.615
where: short stacking energy: -58.311
Base-Backbone interact. energy: -0.086
local terms energy: -83.081740
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -15.929
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: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -195.378705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.378705 (E_RNA)
where:
Base-Base interactions energy: -112.886
where: short stacking energy: -50.536
Base-Backbone interact. energy: -0.163
local terms energy: -82.329810
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -102.682898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.682898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.682898 (E_RNA)
where:
Base-Base interactions energy: -42.381
where: short stacking energy: -31.202
Base-Backbone interact. energy: -0.169
local terms energy: -60.132093
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -93.299436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.299436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.299436 (E_RNA)
where:
Base-Base interactions energy: -36.217
where: short stacking energy: -26.104
Base-Backbone interact. energy: -0.329
local terms energy: -56.753732
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -86.367337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.367337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.367337 (E_RNA)
where:
Base-Base interactions energy: -38.924
where: short stacking energy: -30.920
Base-Backbone interact. energy: -0.256
local terms energy: -47.186614
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -269.712543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.712543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.712543 (E_RNA)
where:
Base-Base interactions energy: -194.370
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.346
local terms energy: -74.997163
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -19.832
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: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -230.299593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.299593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.299593 (E_RNA)
where:
Base-Base interactions energy: -145.360
where: short stacking energy: -69.219
Base-Backbone interact. energy: -0.213
local terms energy: -84.726443
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -13.406
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: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -214.436166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.436166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.436166 (E_RNA)
where:
Base-Base interactions energy: -136.556
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.056
local terms energy: -77.824414
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -211.469234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.469234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.469234 (E_RNA)
where:
Base-Base interactions energy: -128.586
where: short stacking energy: -78.940
Base-Backbone interact. energy: -0.727
local terms energy: -82.156604
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -197.736398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.736398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.736398 (E_RNA)
where:
Base-Base interactions energy: -122.480
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.714
local terms energy: -74.542892
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -14.104
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: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -200.945849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.945849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.945849 (E_RNA)
where:
Base-Base interactions energy: -118.875
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.711
local terms energy: -81.359625
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -164.607227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.607227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.607227 (E_RNA)
where:
Base-Base interactions energy: -99.963
where: short stacking energy: -51.339
Base-Backbone interact. energy: -0.171
local terms energy: -64.472338
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -13.269
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: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -102.870403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.870403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.870403 (E_RNA)
where:
Base-Base interactions energy: -50.565
where: short stacking energy: -33.117
Base-Backbone interact. energy: -0.177
local terms energy: -52.128238
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -6.688
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -85.792520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.792520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.792520 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.880
local terms energy: -46.884622
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -82.368970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.368970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.368970 (E_RNA)
where:
Base-Base interactions energy: -22.053
where: short stacking energy: -21.265
Base-Backbone interact. energy: -0.138
local terms energy: -60.177869
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.268
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: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -264.220194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.220194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.220194 (E_RNA)
where:
Base-Base interactions energy: -175.856
where: short stacking energy: -83.409
Base-Backbone interact. energy: -0.410
local terms energy: -87.954490
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -21.326
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: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -229.168744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.168744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.168744 (E_RNA)
where:
Base-Base interactions energy: -146.761
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.266
local terms energy: -82.141086
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -227.023145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.023145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.023145 (E_RNA)
where:
Base-Base interactions energy: -135.813
where: short stacking energy: -73.571
Base-Backbone interact. energy: -0.726
local terms energy: -90.484518
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -23.468
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: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -200.603603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.603603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.603603 (E_RNA)
where:
Base-Base interactions energy: -120.662
where: short stacking energy: -69.286
Base-Backbone interact. energy: 0.402
local terms energy: -80.343536
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.604
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: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -203.769852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.769852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.769852 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.054
local terms energy: -72.254117
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -16.783
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: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -196.042324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.042324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.042324 (E_RNA)
where:
Base-Base interactions energy: -115.777
where: short stacking energy: -51.112
Base-Backbone interact. energy: -0.982
local terms energy: -79.283884
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -8.559
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: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -170.016124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.016124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.016124 (E_RNA)
where:
Base-Base interactions energy: -97.582
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.266
local terms energy: -72.168120
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -9.868
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: 142
Temperature: 1.250000
Total energy: -100.997271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.997271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.997271 (E_RNA)
where:
Base-Base interactions energy: -45.957
where: short stacking energy: -24.804
Base-Backbone interact. energy: -0.900
local terms energy: -54.139574
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -10.157
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: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -87.783700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.783700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.783700 (E_RNA)
where:
Base-Base interactions energy: -37.638
where: short stacking energy: -36.254
Base-Backbone interact. energy: 0.931
local terms energy: -51.076488
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -89.644471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.644471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.644471 (E_RNA)
where:
Base-Base interactions energy: -39.011
where: short stacking energy: -35.682
Base-Backbone interact. energy: -0.563
local terms energy: -50.070871
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -269.332228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.332228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.332228 (E_RNA)
where:
Base-Base interactions energy: -185.576
where: short stacking energy: -73.535
Base-Backbone interact. energy: -0.737
local terms energy: -83.019443
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -12.475
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: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -227.077960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.077960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.077960 (E_RNA)
where:
Base-Base interactions energy: -143.557
where: short stacking energy: -72.581
Base-Backbone interact. energy: -0.147
local terms energy: -83.373500
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -216.643823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.643823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.643823 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -71.828
Base-Backbone interact. energy: -0.020
local terms energy: -75.762904
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -198.079438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.079438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.079438 (E_RNA)
where:
Base-Base interactions energy: -125.357
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.637
local terms energy: -72.085473
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -13.217
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -198.142701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.142701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.142701 (E_RNA)
where:
Base-Base interactions energy: -119.051
where: short stacking energy: -66.842
Base-Backbone interact. energy: -0.304
local terms energy: -78.787406
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -194.406260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.406260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.406260 (E_RNA)
where:
Base-Base interactions energy: -115.792
where: short stacking energy: -58.841
Base-Backbone interact. energy: 0.870
local terms energy: -79.483826
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -12.061
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: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -174.299983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.299983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.299983 (E_RNA)
where:
Base-Base interactions energy: -102.798
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.698
local terms energy: -70.803258
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -105.764686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.764686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.764686 (E_RNA)
where:
Base-Base interactions energy: -39.541
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.066
local terms energy: -66.157310
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -102.473999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.473999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.473999 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -16.505
Base-Backbone interact. energy: -0.186
local terms energy: -67.074359
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -96.421506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.421506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.421506 (E_RNA)
where:
Base-Base interactions energy: -33.939
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.049
local terms energy: -62.433746
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -7.132
flat angles P-C4'-P energy: -10.542
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: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -273.345958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.345958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.345958 (E_RNA)
where:
Base-Base interactions energy: -193.061
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.361
local terms energy: -79.924311
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -223.909230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.909230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.909230 (E_RNA)
where:
Base-Base interactions energy: -141.090
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.092
local terms energy: -82.727805
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -222.357641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.357641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.357641 (E_RNA)
where:
Base-Base interactions energy: -152.359
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.148
local terms energy: -69.851023
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -201.333281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.333281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.333281 (E_RNA)
where:
Base-Base interactions energy: -127.747
where: short stacking energy: -61.485
Base-Backbone interact. energy: -0.116
local terms energy: -73.470505
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -201.094810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.094810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.094810 (E_RNA)
where:
Base-Base interactions energy: -132.553
where: short stacking energy: -64.921
Base-Backbone interact. energy: -0.791
local terms energy: -67.750667
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -194.753727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.753727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.753727 (E_RNA)
where:
Base-Base interactions energy: -119.959
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.185
local terms energy: -74.609766
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -9.766
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: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -92.481047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.481047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.481047 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -27.522
Base-Backbone interact. energy: -0.455
local terms energy: -50.358047
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.005
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: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -180.498442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.498442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.498442 (E_RNA)
where:
Base-Base interactions energy: -116.261
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.279
local terms energy: -63.958322
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -11.942
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: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -90.026548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.026548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.026548 (E_RNA)
where:
Base-Base interactions energy: -42.515
where: short stacking energy: -31.405
Base-Backbone interact. energy: 1.738
local terms energy: -49.249231
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -3.061
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: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -90.817518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.817518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.817518 (E_RNA)
where:
Base-Base interactions energy: -36.323
where: short stacking energy: -22.620
Base-Backbone interact. energy: -0.067
local terms energy: -54.427104
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: 1.887
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: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -264.048147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.048147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.048147 (E_RNA)
where:
Base-Base interactions energy: -177.620
where: short stacking energy: -67.164
Base-Backbone interact. energy: -1.176
local terms energy: -85.251999
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -240.051862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.051862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.051862 (E_RNA)
where:
Base-Base interactions energy: -153.718
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.031
local terms energy: -86.303133
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -218.225732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.225732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.225732 (E_RNA)
where:
Base-Base interactions energy: -138.845
where: short stacking energy: -70.615
Base-Backbone interact. energy: -0.347
local terms energy: -79.033885
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -216.752887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.752887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.752887 (E_RNA)
where:
Base-Base interactions energy: -136.103
where: short stacking energy: -71.327
Base-Backbone interact. energy: -0.037
local terms energy: -80.612028
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -203.029328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.029328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.029328 (E_RNA)
where:
Base-Base interactions energy: -128.584
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.430
local terms energy: -74.015463
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -20.112
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: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -196.589247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.589247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.589247 (E_RNA)
where:
Base-Base interactions energy: -124.368
where: short stacking energy: -53.741
Base-Backbone interact. energy: 1.358
local terms energy: -73.578759
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -104.716231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.716231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.716231 (E_RNA)
where:
Base-Base interactions energy: -53.330
where: short stacking energy: -22.750
Base-Backbone interact. energy: -0.186
local terms energy: -51.199888
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.241
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: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -166.601544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.601544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.601544 (E_RNA)
where:
Base-Base interactions energy: -104.835
where: short stacking energy: -44.858
Base-Backbone interact. energy: -0.576
local terms energy: -61.190128
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -12.823
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: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -99.440058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.440058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.440058 (E_RNA)
where:
Base-Base interactions energy: -43.311
where: short stacking energy: -27.199
Base-Backbone interact. energy: -0.280
local terms energy: -55.848854
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -8.510
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: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -100.270925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.270925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.270925 (E_RNA)
where:
Base-Base interactions energy: -46.896
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.628
local terms energy: -52.746925
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -241.987967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.987967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.987967 (E_RNA)
where:
Base-Base interactions energy: -158.637
where: short stacking energy: -73.781
Base-Backbone interact. energy: -0.083
local terms energy: -83.267503
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -254.902994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.902994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.902994 (E_RNA)
where:
Base-Base interactions energy: -174.169
where: short stacking energy: -67.332
Base-Backbone interact. energy: -1.424
local terms energy: -79.309964
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -222.238380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.238380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.238380 (E_RNA)
where:
Base-Base interactions energy: -136.739
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.401
local terms energy: -85.099198
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -222.661732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.661732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.661732 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.023
local terms energy: -75.403654
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: 1.164
tors. eta vs tors. theta energy: -23.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -193.264912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.264912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.264912 (E_RNA)
where:
Base-Base interactions energy: -117.042
where: short stacking energy: -60.017
Base-Backbone interact. energy: -1.321
local terms energy: -74.902329
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -16.387
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: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -178.619418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.619418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.619418 (E_RNA)
where:
Base-Base interactions energy: -108.172
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.960
local terms energy: -69.487376
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -171.683525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.683525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.683525 (E_RNA)
where:
Base-Base interactions energy: -102.930
where: short stacking energy: -46.712
Base-Backbone interact. energy: -1.324
local terms energy: -67.429413
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -7.408
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: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -102.374330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.374330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.374330 (E_RNA)
where:
Base-Base interactions energy: -50.567
where: short stacking energy: -37.997
Base-Backbone interact. energy: -0.150
local terms energy: -51.657266
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: 0.019
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -93.352257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.352257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.352257 (E_RNA)
where:
Base-Base interactions energy: -26.393
where: short stacking energy: -26.052
Base-Backbone interact. energy: -0.185
local terms energy: -66.774468
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -99.586389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.586389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.586389 (E_RNA)
where:
Base-Base interactions energy: -42.720
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.200
local terms energy: -56.666093
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -8.596
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: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -250.011961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.011961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.011961 (E_RNA)
where:
Base-Base interactions energy: -157.276
where: short stacking energy: -76.291
Base-Backbone interact. energy: -0.663
local terms energy: -92.072854
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -252.534637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.534637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.534637 (E_RNA)
where:
Base-Base interactions energy: -168.786
where: short stacking energy: -67.290
Base-Backbone interact. energy: -1.768
local terms energy: -81.981407
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.931
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: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -231.020499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.020499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.020499 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -70.574
Base-Backbone interact. energy: -0.646
local terms energy: -91.633019
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -20.267
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: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -207.348168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.348168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.348168 (E_RNA)
where:
Base-Base interactions energy: -130.392
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.003
local terms energy: -76.953537
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -201.877694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.877694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.877694 (E_RNA)
where:
Base-Base interactions energy: -126.329
where: short stacking energy: -63.520
Base-Backbone interact. energy: -0.068
local terms energy: -75.480959
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -18.176
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -183.430514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430514 (E_RNA)
where:
Base-Base interactions energy: -116.453
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.816
local terms energy: -66.161545
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -163.663480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.663480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.663480 (E_RNA)
where:
Base-Base interactions energy: -96.299
where: short stacking energy: -39.668
Base-Backbone interact. energy: -0.322
local terms energy: -67.042240
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -8.980
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: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -115.692629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.692629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.692629 (E_RNA)
where:
Base-Base interactions energy: -57.588
where: short stacking energy: -36.832
Base-Backbone interact. energy: -0.297
local terms energy: -57.808374
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -87.884754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.884754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.884754 (E_RNA)
where:
Base-Base interactions energy: -27.937
where: short stacking energy: -27.937
Base-Backbone interact. energy: -0.132
local terms energy: -59.816222
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -116.020093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.020093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.020093 (E_RNA)
where:
Base-Base interactions energy: -67.387
where: short stacking energy: -34.085
Base-Backbone interact. energy: -0.104
local terms energy: -48.528882
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -5.729
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: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -246.116887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.116887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.116887 (E_RNA)
where:
Base-Base interactions energy: -160.639
where: short stacking energy: -74.782
Base-Backbone interact. energy: -0.103
local terms energy: -85.374582
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -259.252053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.252053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.252053 (E_RNA)
where:
Base-Base interactions energy: -175.325
where: short stacking energy: -73.248
Base-Backbone interact. energy: -0.753
local terms energy: -83.174477
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -18.806
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: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -221.847231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.847231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.847231 (E_RNA)
where:
Base-Base interactions energy: -132.637
where: short stacking energy: -72.985
Base-Backbone interact. energy: -2.603
local terms energy: -86.607287
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -217.022780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.022780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.022780 (E_RNA)
where:
Base-Base interactions energy: -133.847
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.097
local terms energy: -83.078844
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -200.408169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.408169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.408169 (E_RNA)
where:
Base-Base interactions energy: -125.765
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.122
local terms energy: -74.521528
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -188.979928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.979928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.979928 (E_RNA)
where:
Base-Base interactions energy: -119.886
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.177
local terms energy: -68.916848
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -173.177454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.177454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.177454 (E_RNA)
where:
Base-Base interactions energy: -100.268
where: short stacking energy: -55.584
Base-Backbone interact. energy: 0.169
local terms energy: -73.078151
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -83.605125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.605125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.605125 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -29.595
Base-Backbone interact. energy: -0.481
local terms energy: -52.606155
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -9.164
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: 148
Temperature: 1.300000
Total energy: -96.309642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.309642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.309642 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -31.197
Base-Backbone interact. energy: -0.866
local terms energy: -57.517420
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -0.602
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: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -83.991795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.991795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.991795 (E_RNA)
where:
Base-Base interactions energy: -31.146
where: short stacking energy: -22.820
Base-Backbone interact. energy: 0.177
local terms energy: -53.022964
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -251.066495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.066495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.066495 (E_RNA)
where:
Base-Base interactions energy: -165.337
where: short stacking energy: -72.220
Base-Backbone interact. energy: -0.175
local terms energy: -85.553704
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -253.598705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.598705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.598705 (E_RNA)
where:
Base-Base interactions energy: -172.508
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.539
local terms energy: -80.551944
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -206.028590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.028590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.028590 (E_RNA)
where:
Base-Base interactions energy: -127.095
where: short stacking energy: -62.704
Base-Backbone interact. energy: -0.155
local terms energy: -78.777661
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -11.647
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: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -220.388551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.388551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.388551 (E_RNA)
where:
Base-Base interactions energy: -144.064
where: short stacking energy: -73.158
Base-Backbone interact. energy: -1.039
local terms energy: -75.285359
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -206.801675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.801675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.801675 (E_RNA)
where:
Base-Base interactions energy: -128.529
where: short stacking energy: -64.661
Base-Backbone interact. energy: -0.123
local terms energy: -78.149782
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -15.126
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: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -194.104177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.104177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.104177 (E_RNA)
where:
Base-Base interactions energy: -117.843
where: short stacking energy: -58.906
Base-Backbone interact. energy: -0.136
local terms energy: -76.125502
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -165.580153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.580153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.580153 (E_RNA)
where:
Base-Base interactions energy: -105.022
where: short stacking energy: -53.792
Base-Backbone interact. energy: 0.976
local terms energy: -61.533723
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -12.310
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: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -100.253855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.253855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.253855 (E_RNA)
where:
Base-Base interactions energy: -39.691
where: short stacking energy: -34.664
Base-Backbone interact. energy: 0.142
local terms energy: -60.704676
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -92.745627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.745627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.745627 (E_RNA)
where:
Base-Base interactions energy: -36.397
where: short stacking energy: -25.622
Base-Backbone interact. energy: -0.277
local terms energy: -56.072054
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.201
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -87.384812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.384812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.384812 (E_RNA)
where:
Base-Base interactions energy: -28.932
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.272
local terms energy: -58.180931
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -269.688822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.688822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.688822 (E_RNA)
where:
Base-Base interactions energy: -185.251
where: short stacking energy: -77.936
Base-Backbone interact. energy: -0.638
local terms energy: -83.800370
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -9.351
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -229.043346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.043346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.043346 (E_RNA)
where:
Base-Base interactions energy: -140.688
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.282
local terms energy: -88.072993
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -222.655872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.655872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.655872 (E_RNA)
where:
Base-Base interactions energy: -138.890
where: short stacking energy: -71.568
Base-Backbone interact. energy: -0.013
local terms energy: -83.753112
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -208.524750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.524750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.524750 (E_RNA)
where:
Base-Base interactions energy: -132.591
where: short stacking energy: -66.563
Base-Backbone interact. energy: -0.031
local terms energy: -75.901873
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -204.785291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.785291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.785291 (E_RNA)
where:
Base-Base interactions energy: -134.128
where: short stacking energy: -67.348
Base-Backbone interact. energy: -0.753
local terms energy: -69.904137
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -202.108445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.108445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.108445 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -77.532
Base-Backbone interact. energy: -0.430
local terms energy: -66.108374
where:
bonds (distance) C4'-P energy: -7.103
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -12.601
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: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -153.995367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.995367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.995367 (E_RNA)
where:
Base-Base interactions energy: -93.082
where: short stacking energy: -45.986
Base-Backbone interact. energy: 2.676
local terms energy: -63.588556
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -98.680272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.680272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.680272 (E_RNA)
where:
Base-Base interactions energy: -31.036
where: short stacking energy: -28.882
Base-Backbone interact. energy: -0.376
local terms energy: -67.268479
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -2.435
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: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -95.798868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.798868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.798868 (E_RNA)
where:
Base-Base interactions energy: -37.308
where: short stacking energy: -36.662
Base-Backbone interact. energy: 0.070
local terms energy: -58.560247
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -3.876
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: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -87.236337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.236337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.236337 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -25.750
Base-Backbone interact. energy: 0.930
local terms energy: -53.832362
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: 4.341
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: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -271.155454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.155454 (E_RNA)
where:
Base-Base interactions energy: -188.522
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.288
local terms energy: -82.344831
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -12.788
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: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -248.413997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.413997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.413997 (E_RNA)
where:
Base-Base interactions energy: -160.695
where: short stacking energy: -76.409
Base-Backbone interact. energy: -0.662
local terms energy: -87.056989
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -222.879297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.879297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.879297 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -69.536
Base-Backbone interact. energy: -0.695
local terms energy: -87.942325
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -195.801730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.801730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.801730 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.930
local terms energy: -81.849908
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -200.831691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.831691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.831691 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -60.152
Base-Backbone interact. energy: 0.243
local terms energy: -73.165855
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -194.210788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.210788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.210788 (E_RNA)
where:
Base-Base interactions energy: -114.582
where: short stacking energy: -53.546
Base-Backbone interact. energy: 0.798
local terms energy: -80.426294
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -12.633
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -177.676254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.676254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.676254 (E_RNA)
where:
Base-Base interactions energy: -110.734
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.072
local terms energy: -66.869919
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -9.682
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: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -119.128847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.128847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.128847 (E_RNA)
where:
Base-Base interactions energy: -54.129
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.186
local terms energy: -64.813917
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -0.229
tors. eta vs tors. theta energy: -11.183
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: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -91.540082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.540082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.540082 (E_RNA)
where:
Base-Base interactions energy: -28.402
where: short stacking energy: -20.042
Base-Backbone interact. energy: -0.046
local terms energy: -63.091707
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: 2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -98.736831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.736831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.736831 (E_RNA)
where:
Base-Base interactions energy: -35.831
where: short stacking energy: -35.831
Base-Backbone interact. energy: -1.081
local terms energy: -61.824692
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -5.584
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: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -270.328305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.328305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.328305 (E_RNA)
where:
Base-Base interactions energy: -184.524
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.767
local terms energy: -85.036674
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -224.307141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.307141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.307141 (E_RNA)
where:
Base-Base interactions energy: -145.008
where: short stacking energy: -75.255
Base-Backbone interact. energy: -0.047
local terms energy: -79.252595
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -21.188
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -221.863727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.863727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.863727 (E_RNA)
where:
Base-Base interactions energy: -134.542
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.548
local terms energy: -86.773123
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -20.043
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: 152
Temperature: 1.050000
Total energy: -192.788359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.788359 (E_RNA)
where:
Base-Base interactions energy: -118.234
where: short stacking energy: -53.733
Base-Backbone interact. energy: -1.380
local terms energy: -73.174277
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -200.779981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.779981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.779981 (E_RNA)
where:
Base-Base interactions energy: -127.661
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.329
local terms energy: -72.789202
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -8.259
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: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -196.004247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.004247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.004247 (E_RNA)
where:
Base-Base interactions energy: -127.132
where: short stacking energy: -50.909
Base-Backbone interact. energy: 0.411
local terms energy: -69.282392
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -190.437821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.437821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.437821 (E_RNA)
where:
Base-Base interactions energy: -119.995
where: short stacking energy: -54.319
Base-Backbone interact. energy: -0.155
local terms energy: -70.288358
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -169.473808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.473808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.473808 (E_RNA)
where:
Base-Base interactions energy: -106.510
where: short stacking energy: -46.395
Base-Backbone interact. energy: -0.148
local terms energy: -62.815450
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -100.860826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.860826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.860826 (E_RNA)
where:
Base-Base interactions energy: -41.197
where: short stacking energy: -41.197
Base-Backbone interact. energy: -0.198
local terms energy: -59.465381
where:
bonds (distance) C4'-P energy: -6.533
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -90.635267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.635267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.635267 (E_RNA)
where:
Base-Base interactions energy: -31.825
where: short stacking energy: -31.513
Base-Backbone interact. energy: 0.372
local terms energy: -59.182159
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -262.484848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.484848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.484848 (E_RNA)
where:
Base-Base interactions energy: -178.553
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.596
local terms energy: -83.335236
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -230.186028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.186028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.186028 (E_RNA)
where:
Base-Base interactions energy: -152.106
where: short stacking energy: -68.368
Base-Backbone interact. energy: -0.153
local terms energy: -77.926653
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -10.805
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: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -206.066566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.066566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.066566 (E_RNA)
where:
Base-Base interactions energy: -127.253
where: short stacking energy: -56.808
Base-Backbone interact. energy: -0.758
local terms energy: -78.055432
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -213.687119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.687119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.687119 (E_RNA)
where:
Base-Base interactions energy: -128.685
where: short stacking energy: -69.461
Base-Backbone interact. energy: -0.089
local terms energy: -84.913141
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -192.417008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.417008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.417008 (E_RNA)
where:
Base-Base interactions energy: -117.942
where: short stacking energy: -55.374
Base-Backbone interact. energy: -0.858
local terms energy: -73.617648
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -194.717344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.717344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.717344 (E_RNA)
where:
Base-Base interactions energy: -114.977
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.680
local terms energy: -79.060020
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -7.307
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: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -171.835668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.835668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.835668 (E_RNA)
where:
Base-Base interactions energy: -108.612
where: short stacking energy: -50.909
Base-Backbone interact. energy: -0.112
local terms energy: -63.111375
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -183.643245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.643245 (E_RNA)
where:
Base-Base interactions energy: -122.337
where: short stacking energy: -49.650
Base-Backbone interact. energy: -0.569
local terms energy: -60.737201
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -10.850
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: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -91.113845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.113845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.113845 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -34.359
Base-Backbone interact. energy: -0.173
local terms energy: -56.102626
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -4.523
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: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -94.510228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.510228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.510228 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.176
local terms energy: -59.312676
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -266.114314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.114314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.114314 (E_RNA)
where:
Base-Base interactions energy: -183.263
where: short stacking energy: -71.298
Base-Backbone interact. energy: -1.143
local terms energy: -81.708487
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -13.999
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: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -223.272335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.272335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.272335 (E_RNA)
where:
Base-Base interactions energy: -138.368
where: short stacking energy: -78.537
Base-Backbone interact. energy: -0.003
local terms energy: -84.901734
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -22.851
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: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -196.833181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.833181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.833181 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.254
local terms energy: -76.917947
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -204.915110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.915110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.915110 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.415
local terms energy: -78.539019
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -9.761
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: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -193.371685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.371685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.371685 (E_RNA)
where:
Base-Base interactions energy: -121.321
where: short stacking energy: -58.371
Base-Backbone interact. energy: 0.013
local terms energy: -72.063249
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -12.558
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: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -190.002830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.002830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.002830 (E_RNA)
where:
Base-Base interactions energy: -126.648
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.362
local terms energy: -62.992081
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -194.235104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.235104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.235104 (E_RNA)
where:
Base-Base interactions energy: -127.727
where: short stacking energy: -59.167
Base-Backbone interact. energy: 0.188
local terms energy: -66.696053
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -174.752292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.752292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.752292 (E_RNA)
where:
Base-Base interactions energy: -101.762
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.815
local terms energy: -72.175998
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -105.753095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.753095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.753095 (E_RNA)
where:
Base-Base interactions energy: -57.780
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.095
local terms energy: -47.878763
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -8.261
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -87.473542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.473542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.473542 (E_RNA)
where:
Base-Base interactions energy: -25.867
where: short stacking energy: -25.867
Base-Backbone interact. energy: -0.367
local terms energy: -61.239779
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -266.942220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.942220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.942220 (E_RNA)
where:
Base-Base interactions energy: -182.833
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.542
local terms energy: -83.567537
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -228.777219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.777219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.777219 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -71.193
Base-Backbone interact. energy: -0.613
local terms energy: -83.367744
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -214.509301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.509301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.509301 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.315
local terms energy: -81.821685
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -18.405
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: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -201.630655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.630655 (E_RNA)
where:
Base-Base interactions energy: -123.015
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.427
local terms energy: -78.188149
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -12.255
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: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -188.991159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.991159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.991159 (E_RNA)
where:
Base-Base interactions energy: -110.494
where: short stacking energy: -47.498
Base-Backbone interact. energy: -0.485
local terms energy: -78.011498
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -185.344173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.344173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.344173 (E_RNA)
where:
Base-Base interactions energy: -118.128
where: short stacking energy: -52.430
Base-Backbone interact. energy: 0.253
local terms energy: -67.468875
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -13.546
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: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -187.848713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.848713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.848713 (E_RNA)
where:
Base-Base interactions energy: -122.421
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.012
local terms energy: -65.415506
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -164.123916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.123916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.123916 (E_RNA)
where:
Base-Base interactions energy: -101.833
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.007
local terms energy: -62.284317
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -92.994116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.994116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.994116 (E_RNA)
where:
Base-Base interactions energy: -42.896
where: short stacking energy: -30.897
Base-Backbone interact. energy: -1.061
local terms energy: -49.037662
where:
bonds (distance) C4'-P energy: -8.262
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -84.940936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.940936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.940936 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -27.120
Base-Backbone interact. energy: 0.970
local terms energy: -58.791416
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -275.979005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.979005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.979005 (E_RNA)
where:
Base-Base interactions energy: -188.336
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.681
local terms energy: -86.962076
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -23.121
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: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -236.087244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.087244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.087244 (E_RNA)
where:
Base-Base interactions energy: -151.686
where: short stacking energy: -82.625
Base-Backbone interact. energy: -1.288
local terms energy: -83.112573
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -220.098621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.098621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.098621 (E_RNA)
where:
Base-Base interactions energy: -138.382
where: short stacking energy: -74.259
Base-Backbone interact. energy: -0.038
local terms energy: -81.678389
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -210.978908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.978908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978908 (E_RNA)
where:
Base-Base interactions energy: -132.744
where: short stacking energy: -75.826
Base-Backbone interact. energy: -0.865
local terms energy: -77.369637
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -9.493
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: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -205.353410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.353410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.353410 (E_RNA)
where:
Base-Base interactions energy: -120.068
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.015
local terms energy: -85.270349
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -197.621515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.621515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.621515 (E_RNA)
where:
Base-Base interactions energy: -133.105
where: short stacking energy: -69.944
Base-Backbone interact. energy: -0.834
local terms energy: -63.683107
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -160.366644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.366644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.366644 (E_RNA)
where:
Base-Base interactions energy: -99.722
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.324
local terms energy: -60.321503
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -9.359
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: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -194.015776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.015776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.015776 (E_RNA)
where:
Base-Base interactions energy: -117.053
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.474
local terms energy: -76.488041
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -13.707
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: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -92.081053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.081053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.081053 (E_RNA)
where:
Base-Base interactions energy: -40.466
where: short stacking energy: -23.428
Base-Backbone interact. energy: -0.254
local terms energy: -51.361537
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: 3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -91.794694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.794694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.794694 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -21.386
Base-Backbone interact. energy: -0.429
local terms energy: -56.269927
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -268.142950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.142950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.142950 (E_RNA)
where:
Base-Base interactions energy: -169.966
where: short stacking energy: -73.051
Base-Backbone interact. energy: -0.827
local terms energy: -97.349703
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -25.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -222.479148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.479148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.479148 (E_RNA)
where:
Base-Base interactions energy: -141.417
where: short stacking energy: -69.454
Base-Backbone interact. energy: -0.188
local terms energy: -80.874684
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -230.159723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.159723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.159723 (E_RNA)
where:
Base-Base interactions energy: -143.668
where: short stacking energy: -69.957
Base-Backbone interact. energy: 0.131
local terms energy: -86.622858
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -200.397842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.397842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.397842 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -64.036
Base-Backbone interact. energy: -0.430
local terms energy: -71.490533
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -209.883387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.883387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.883387 (E_RNA)
where:
Base-Base interactions energy: -127.408
where: short stacking energy: -73.606
Base-Backbone interact. energy: -0.179
local terms energy: -82.296183
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -16.260
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: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -197.856779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.856779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.856779 (E_RNA)
where:
Base-Base interactions energy: -129.076
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.475
local terms energy: -68.305274
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -8.896
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -187.664728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.664728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.664728 (E_RNA)
where:
Base-Base interactions energy: -115.168
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.181
local terms energy: -72.315726
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -121.904459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.904459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.904459 (E_RNA)
where:
Base-Base interactions energy: -63.843
where: short stacking energy: -45.642
Base-Backbone interact. energy: 1.686
local terms energy: -59.747122
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -175.227173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.227173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.227173 (E_RNA)
where:
Base-Base interactions energy: -105.069
where: short stacking energy: -43.148
Base-Backbone interact. energy: -0.242
local terms energy: -69.916314
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -99.108570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.108570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.108570 (E_RNA)
where:
Base-Base interactions energy: -40.807
where: short stacking energy: -40.807
Base-Backbone interact. energy: -1.310
local terms energy: -56.990916
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -5.600
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: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -266.306475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.306475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.306475 (E_RNA)
where:
Base-Base interactions energy: -175.566
where: short stacking energy: -79.710
Base-Backbone interact. energy: -0.603
local terms energy: -90.137033
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -231.813191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.813191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.813191 (E_RNA)
where:
Base-Base interactions energy: -152.284
where: short stacking energy: -75.405
Base-Backbone interact. energy: -0.029
local terms energy: -79.500808
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -217.603301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.603301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.603301 (E_RNA)
where:
Base-Base interactions energy: -133.815
where: short stacking energy: -67.801
Base-Backbone interact. energy: -0.071
local terms energy: -83.717114
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -207.986099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.986099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.986099 (E_RNA)
where:
Base-Base interactions energy: -131.396
where: short stacking energy: -54.387
Base-Backbone interact. energy: -0.111
local terms energy: -76.478902
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -12.138
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: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -204.062396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.062396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.062396 (E_RNA)
where:
Base-Base interactions energy: -128.631
where: short stacking energy: -58.242
Base-Backbone interact. energy: -0.074
local terms energy: -75.357715
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -15.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -180.927550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.927550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.927550 (E_RNA)
where:
Base-Base interactions energy: -104.544
where: short stacking energy: -55.786
Base-Backbone interact. energy: -0.132
local terms energy: -76.251359
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -184.136895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.136895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.136895 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -42.625
Base-Backbone interact. energy: -0.685
local terms energy: -73.203609
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -8.501
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: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -85.949218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.949218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.949218 (E_RNA)
where:
Base-Base interactions energy: -33.196
where: short stacking energy: -31.742
Base-Backbone interact. energy: -0.383
local terms energy: -52.369619
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -162.994242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.994242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.994242 (E_RNA)
where:
Base-Base interactions energy: -93.947
where: short stacking energy: -47.515
Base-Backbone interact. energy: -0.605
local terms energy: -68.442890
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -10.975
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: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -87.704730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.704730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.704730 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -21.067
Base-Backbone interact. energy: -1.219
local terms energy: -50.962418
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -257.712340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.712340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.712340 (E_RNA)
where:
Base-Base interactions energy: -171.084
where: short stacking energy: -76.740
Base-Backbone interact. energy: -0.457
local terms energy: -86.171342
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -225.061395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.061395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.061395 (E_RNA)
where:
Base-Base interactions energy: -142.508
where: short stacking energy: -65.816
Base-Backbone interact. energy: -0.098
local terms energy: -82.454878
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -209.590825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.590825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.590825 (E_RNA)
where:
Base-Base interactions energy: -130.703
where: short stacking energy: -57.614
Base-Backbone interact. energy: -0.008
local terms energy: -78.879451
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -214.788145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.788145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.788145 (E_RNA)
where:
Base-Base interactions energy: -134.418
where: short stacking energy: -68.831
Base-Backbone interact. energy: -0.191
local terms energy: -80.178437
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -21.847
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: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -195.264540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.264540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.264540 (E_RNA)
where:
Base-Base interactions energy: -125.419
where: short stacking energy: -62.698
Base-Backbone interact. energy: -0.187
local terms energy: -69.659026
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -202.069721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.069721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.069721 (E_RNA)
where:
Base-Base interactions energy: -126.256
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.086
local terms energy: -75.727311
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -180.056789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.056789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.056789 (E_RNA)
where:
Base-Base interactions energy: -110.536
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.473
local terms energy: -69.047659
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -12.912
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: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -172.484860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.484860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.484860 (E_RNA)
where:
Base-Base interactions energy: -108.624
where: short stacking energy: -45.045
Base-Backbone interact. energy: -0.869
local terms energy: -62.992110
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -6.689
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -101.683180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.683180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.683180 (E_RNA)
where:
Base-Base interactions energy: -48.113
where: short stacking energy: -33.773
Base-Backbone interact. energy: -0.061
local terms energy: -53.509147
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -110.617494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.617494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.617494 (E_RNA)
where:
Base-Base interactions energy: -52.806
where: short stacking energy: -19.387
Base-Backbone interact. energy: -0.306
local terms energy: -57.505412
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: 3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -260.761726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.761726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.761726 (E_RNA)
where:
Base-Base interactions energy: -185.230
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.412
local terms energy: -75.119925
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -18.964
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: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -221.069228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.069228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.069228 (E_RNA)
where:
Base-Base interactions energy: -134.150
where: short stacking energy: -71.653
Base-Backbone interact. energy: -0.308
local terms energy: -86.611889
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -22.594
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: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -221.572760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.572760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.572760 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.619
local terms energy: -83.382721
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -202.985385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.985385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.985385 (E_RNA)
where:
Base-Base interactions energy: -131.835
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.006
local terms energy: -71.144444
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -2.775
tors. eta vs tors. theta energy: -16.503
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: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -211.917856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.917856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.917856 (E_RNA)
where:
Base-Base interactions energy: -126.080
where: short stacking energy: -60.680
Base-Backbone interact. energy: -0.196
local terms energy: -85.641452
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -13.571
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: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -176.987600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.987600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.987600 (E_RNA)
where:
Base-Base interactions energy: -103.128
where: short stacking energy: -55.349
Base-Backbone interact. energy: 0.518
local terms energy: -74.377566
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -9.994
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: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -177.980821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.980821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.980821 (E_RNA)
where:
Base-Base interactions energy: -105.399
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.201
local terms energy: -72.381282
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -177.670842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.670842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.670842 (E_RNA)
where:
Base-Base interactions energy: -109.152
where: short stacking energy: -53.129
Base-Backbone interact. energy: -0.165
local terms energy: -68.353873
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -91.259877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.259877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.259877 (E_RNA)
where:
Base-Base interactions energy: -29.918
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.278
local terms energy: -61.063746
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -95.280242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.280242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.280242 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -24.819
Base-Backbone interact. energy: -0.442
local terms energy: -53.515399
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -2.902
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: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -262.612689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.612689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.612689 (E_RNA)
where:
Base-Base interactions energy: -183.102
where: short stacking energy: -71.205
Base-Backbone interact. energy: -0.872
local terms energy: -78.639054
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -214.377916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.377916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.377916 (E_RNA)
where:
Base-Base interactions energy: -142.598
where: short stacking energy: -68.319
Base-Backbone interact. energy: -0.016
local terms energy: -71.763730
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -223.496487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.496487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.496487 (E_RNA)
where:
Base-Base interactions energy: -148.155
where: short stacking energy: -65.536
Base-Backbone interact. energy: 0.231
local terms energy: -75.572342
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -15.258
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: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -197.693518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.693518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.693518 (E_RNA)
where:
Base-Base interactions energy: -121.304
where: short stacking energy: -52.218
Base-Backbone interact. energy: 0.282
local terms energy: -76.671857
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -203.026880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.026880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.026880 (E_RNA)
where:
Base-Base interactions energy: -128.058
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.098
local terms energy: -74.871050
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -185.660088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.660088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.660088 (E_RNA)
where:
Base-Base interactions energy: -115.502
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.219
local terms energy: -69.938406
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -162.157731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.157731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.157731 (E_RNA)
where:
Base-Base interactions energy: -96.567
where: short stacking energy: -46.120
Base-Backbone interact. energy: -1.255
local terms energy: -64.336129
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -166.286470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.286470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.286470 (E_RNA)
where:
Base-Base interactions energy: -109.128
where: short stacking energy: -51.191
Base-Backbone interact. energy: 1.782
local terms energy: -58.940837
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -90.113764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.113764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.113764 (E_RNA)
where:
Base-Base interactions energy: -30.063
where: short stacking energy: -30.063
Base-Backbone interact. energy: -0.117
local terms energy: -59.933791
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -81.462908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.462908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.462908 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -21.866
Base-Backbone interact. energy: -0.327
local terms energy: -54.016021
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -267.021799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.021799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.021799 (E_RNA)
where:
Base-Base interactions energy: -176.846
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.156
local terms energy: -90.020266
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -19.307
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: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -222.391432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.391432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.391432 (E_RNA)
where:
Base-Base interactions energy: -137.832
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.001
local terms energy: -84.558603
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -21.136
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -227.224082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.224082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.224082 (E_RNA)
where:
Base-Base interactions energy: -145.960
where: short stacking energy: -65.322
Base-Backbone interact. energy: 1.645
local terms energy: -82.908483
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -209.072033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.072033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.072033 (E_RNA)
where:
Base-Base interactions energy: -123.750
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.132
local terms energy: -85.189375
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -216.044931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.044931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044931 (E_RNA)
where:
Base-Base interactions energy: -130.996
where: short stacking energy: -66.103
Base-Backbone interact. energy: -0.971
local terms energy: -84.077577
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -183.273253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.273253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.273253 (E_RNA)
where:
Base-Base interactions energy: -107.241
where: short stacking energy: -52.387
Base-Backbone interact. energy: -0.063
local terms energy: -75.970104
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -13.686
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: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -169.273912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.273912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.273912 (E_RNA)
where:
Base-Base interactions energy: -107.417
where: short stacking energy: -54.903
Base-Backbone interact. energy: 1.792
local terms energy: -63.649296
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -7.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -170.270360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.270360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.270360 (E_RNA)
where:
Base-Base interactions energy: -105.778
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.555
local terms energy: -63.936590
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -5.638
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: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -105.985845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.985845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.985845 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -36.665
Base-Backbone interact. energy: -0.091
local terms energy: -66.874453
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -6.255
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: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -88.063736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.063736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.063736 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.184
local terms energy: -55.373424
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -1.669
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: 163
Temperature: 0.900000
Total energy: -264.891018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.891018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.891018 (E_RNA)
where:
Base-Base interactions energy: -179.542
where: short stacking energy: -74.489
Base-Backbone interact. energy: -0.818
local terms energy: -84.530837
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -11.700
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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -226.183177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.183177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.183177 (E_RNA)
where:
Base-Base interactions energy: -146.037
where: short stacking energy: -57.006
Base-Backbone interact. energy: -0.434
local terms energy: -79.711604
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -227.369300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.369300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.369300 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -60.016
Base-Backbone interact. energy: -0.183
local terms energy: -82.932978
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -203.353525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.353525 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -63.106
Base-Backbone interact. energy: -0.527
local terms energy: -75.230814
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -202.915551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.915551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.915551 (E_RNA)
where:
Base-Base interactions energy: -125.287
where: short stacking energy: -63.491
Base-Backbone interact. energy: 0.235
local terms energy: -77.863412
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -204.133141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.133141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.133141 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.014
local terms energy: -83.867726
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -16.781
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: 163
Temperature: 1.200000
Total energy: -183.581283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.581283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.581283 (E_RNA)
where:
Base-Base interactions energy: -106.413
where: short stacking energy: -56.182
Base-Backbone interact. energy: -0.062
local terms energy: -77.106866
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -170.932401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.932401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.932401 (E_RNA)
where:
Base-Base interactions energy: -100.180
where: short stacking energy: -51.119
Base-Backbone interact. energy: -0.176
local terms energy: -70.576560
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -90.469148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.469148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.469148 (E_RNA)
where:
Base-Base interactions energy: -38.770
where: short stacking energy: -38.770
Base-Backbone interact. energy: -0.121
local terms energy: -51.578519
where:
bonds (distance) C4'-P energy: -4.534
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -75.918556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.918556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.918556 (E_RNA)
where:
Base-Base interactions energy: -27.273
where: short stacking energy: -27.273
Base-Backbone interact. energy: -0.121
local terms energy: -48.524282
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -266.346818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.346818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.346818 (E_RNA)
where:
Base-Base interactions energy: -184.950
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.559
local terms energy: -80.837557
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -15.068
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: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -216.388962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.388962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.388962 (E_RNA)
where:
Base-Base interactions energy: -139.760
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.391
local terms energy: -76.237802
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -214.088611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.088611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.088611 (E_RNA)
where:
Base-Base interactions energy: -134.002
where: short stacking energy: -73.033
Base-Backbone interact. energy: 0.809
local terms energy: -80.896353
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.909
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: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -210.961352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.961352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.961352 (E_RNA)
where:
Base-Base interactions energy: -130.094
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.962
local terms energy: -79.905002
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -205.422979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.422979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.422979 (E_RNA)
where:
Base-Base interactions energy: -119.590
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.602
local terms energy: -85.231395
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -190.807992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.807992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.807992 (E_RNA)
where:
Base-Base interactions energy: -117.206
where: short stacking energy: -51.651
Base-Backbone interact. energy: -0.211
local terms energy: -73.390283
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -197.877350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.877350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.877350 (E_RNA)
where:
Base-Base interactions energy: -128.247
where: short stacking energy: -69.677
Base-Backbone interact. energy: -1.326
local terms energy: -68.304374
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -174.301082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.301082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.301082 (E_RNA)
where:
Base-Base interactions energy: -101.448
where: short stacking energy: -55.354
Base-Backbone interact. energy: -0.403
local terms energy: -72.450525
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -13.087
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: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -85.864590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.864590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.864590 (E_RNA)
where:
Base-Base interactions energy: -32.650
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.233
local terms energy: -52.981664
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -83.513082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.513082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.513082 (E_RNA)
where:
Base-Base interactions energy: -22.145
where: short stacking energy: -21.472
Base-Backbone interact. energy: -0.267
local terms energy: -61.100954
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -276.083028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.083028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.083028 (E_RNA)
where:
Base-Base interactions energy: -190.513
where: short stacking energy: -68.112
Base-Backbone interact. energy: -0.467
local terms energy: -85.102782
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -239.543781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.543781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.543781 (E_RNA)
where:
Base-Base interactions energy: -157.774
where: short stacking energy: -80.538
Base-Backbone interact. energy: 0.041
local terms energy: -81.811319
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -20.913
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: 165
Temperature: 1.000000
Total energy: -225.662662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.662662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.662662 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -78.429
Base-Backbone interact. energy: -0.119
local terms energy: -76.815425
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -195.917712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.917712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.917712 (E_RNA)
where:
Base-Base interactions energy: -122.057
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.013
local terms energy: -73.847646
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -18.861
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: 165
Temperature: 1.100000
Total energy: -204.247442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.247442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.247442 (E_RNA)
where:
Base-Base interactions energy: -124.039
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.069
local terms energy: -80.139811
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -198.815749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.815749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.815749 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -52.271
Base-Backbone interact. energy: -0.494
local terms energy: -77.252920
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -179.199922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.199922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.199922 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -54.404
Base-Backbone interact. energy: -0.114
local terms energy: -62.381895
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -165.560950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.560950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.560950 (E_RNA)
where:
Base-Base interactions energy: -101.109
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.867
local terms energy: -63.584710
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -94.109726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.109726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.109726 (E_RNA)
where:
Base-Base interactions energy: -32.662
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.887
local terms energy: -60.560929
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -9.553
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: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -81.928882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.928882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.928882 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -30.528
Base-Backbone interact. energy: 0.743
local terms energy: -50.716410
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -2.018
tors. eta vs tors. theta energy: -4.400
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: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -252.446964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.446964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.446964 (E_RNA)
where:
Base-Base interactions energy: -181.060
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.665
local terms energy: -70.721704
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -15.312
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: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -225.783909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.783909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.783909 (E_RNA)
where:
Base-Base interactions energy: -141.537
where: short stacking energy: -65.707
Base-Backbone interact. energy: -0.048
local terms energy: -84.199693
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -223.863384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.863384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.863384 (E_RNA)
where:
Base-Base interactions energy: -146.538
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.143
local terms energy: -77.183251
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -19.473
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: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -203.597769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.597769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.597769 (E_RNA)
where:
Base-Base interactions energy: -127.141
where: short stacking energy: -64.798
Base-Backbone interact. energy: -1.083
local terms energy: -75.373411
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -212.506583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.506583 (E_RNA)
where:
Base-Base interactions energy: -130.138
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.165
local terms energy: -82.203664
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -202.928968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.928968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.928968 (E_RNA)
where:
Base-Base interactions energy: -125.908
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.018
local terms energy: -77.003105
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -174.443743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.443743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.443743 (E_RNA)
where:
Base-Base interactions energy: -106.542
where: short stacking energy: -52.968
Base-Backbone interact. energy: 1.344
local terms energy: -69.246367
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -149.562337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.562337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.562337 (E_RNA)
where:
Base-Base interactions energy: -92.260
where: short stacking energy: -37.492
Base-Backbone interact. energy: -1.012
local terms energy: -56.290814
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -6.029
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: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -103.401549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.401549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.401549 (E_RNA)
where:
Base-Base interactions energy: -41.098
where: short stacking energy: -41.098
Base-Backbone interact. energy: -0.109
local terms energy: -62.195241
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -85.942043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.942043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.942043 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -31.414
Base-Backbone interact. energy: 0.501
local terms energy: -52.670711
where:
bonds (distance) C4'-P energy: -6.655
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -261.737189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.737189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.737189 (E_RNA)
where:
Base-Base interactions energy: -179.559
where: short stacking energy: -59.978
Base-Backbone interact. energy: -1.580
local terms energy: -80.597647
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -14.621
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: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -242.680745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.680745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.680745 (E_RNA)
where:
Base-Base interactions energy: -154.451
where: short stacking energy: -71.767
Base-Backbone interact. energy: 1.626
local terms energy: -89.855677
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -212.443515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.443515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.443515 (E_RNA)
where:
Base-Base interactions energy: -128.998
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.307
local terms energy: -83.137872
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -18.366
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: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -210.506668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.506668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.506668 (E_RNA)
where:
Base-Base interactions energy: -128.639
where: short stacking energy: -59.329
Base-Backbone interact. energy: -0.632
local terms energy: -81.235744
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -11.820
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: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -220.816990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.816990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.816990 (E_RNA)
where:
Base-Base interactions energy: -143.140
where: short stacking energy: -66.858
Base-Backbone interact. energy: -0.100
local terms energy: -77.576943
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -179.164701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.164701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.164701 (E_RNA)
where:
Base-Base interactions energy: -111.871
where: short stacking energy: -49.976
Base-Backbone interact. energy: -0.848
local terms energy: -66.445589
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -185.837506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.837506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.837506 (E_RNA)
where:
Base-Base interactions energy: -111.324
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.642
local terms energy: -73.871131
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -16.454
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: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -175.874904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.874904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.874904 (E_RNA)
where:
Base-Base interactions energy: -107.780
where: short stacking energy: -54.659
Base-Backbone interact. energy: -0.151
local terms energy: -67.943866
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.767
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: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -86.228519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.228519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.228519 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -33.721
Base-Backbone interact. energy: 1.539
local terms energy: -54.016639
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -7.501
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -83.772789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.772789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.772789 (E_RNA)
where:
Base-Base interactions energy: -27.139
where: short stacking energy: -25.355
Base-Backbone interact. energy: -0.000
local terms energy: -56.633211
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -259.218412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.218412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.218412 (E_RNA)
where:
Base-Base interactions energy: -182.445
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.634
local terms energy: -76.138911
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -233.844490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.844490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.844490 (E_RNA)
where:
Base-Base interactions energy: -145.658
where: short stacking energy: -64.224
Base-Backbone interact. energy: -0.239
local terms energy: -87.947143
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -20.308
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: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -224.511541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.511541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.511541 (E_RNA)
where:
Base-Base interactions energy: -142.378
where: short stacking energy: -75.425
Base-Backbone interact. energy: -0.024
local terms energy: -82.109329
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -218.187565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.187565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.187565 (E_RNA)
where:
Base-Base interactions energy: -134.329
where: short stacking energy: -71.191
Base-Backbone interact. energy: -0.679
local terms energy: -83.180195
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -224.466291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.466291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.466291 (E_RNA)
where:
Base-Base interactions energy: -138.643
where: short stacking energy: -75.673
Base-Backbone interact. energy: -0.678
local terms energy: -85.145909
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -194.220087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.220087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.220087 (E_RNA)
where:
Base-Base interactions energy: -122.189
where: short stacking energy: -63.699
Base-Backbone interact. energy: -0.491
local terms energy: -71.540551
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -13.538
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: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -181.371119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.371119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.371119 (E_RNA)
where:
Base-Base interactions energy: -119.230
where: short stacking energy: -53.699
Base-Backbone interact. energy: 0.724
local terms energy: -62.864884
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -180.925984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.925984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.925984 (E_RNA)
where:
Base-Base interactions energy: -109.984
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.410
local terms energy: -70.532205
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.101
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: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -93.546534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.546534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.546534 (E_RNA)
where:
Base-Base interactions energy: -33.429
where: short stacking energy: -23.928
Base-Backbone interact. energy: -0.148
local terms energy: -59.970006
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -89.175292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.175292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.175292 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -12.086
Base-Backbone interact. energy: 0.648
local terms energy: -65.616462
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -12.721
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: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -267.918114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.918114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.918114 (E_RNA)
where:
Base-Base interactions energy: -177.541
where: short stacking energy: -76.145
Base-Backbone interact. energy: -0.728
local terms energy: -89.649165
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -229.503465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.503465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.503465 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -67.980
Base-Backbone interact. energy: -0.660
local terms energy: -87.889329
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -20.988
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: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -223.186280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.186280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.186280 (E_RNA)
where:
Base-Base interactions energy: -135.916
where: short stacking energy: -72.527
Base-Backbone interact. energy: -0.053
local terms energy: -87.216960
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -233.471437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.471437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.471437 (E_RNA)
where:
Base-Base interactions energy: -147.617
where: short stacking energy: -77.170
Base-Backbone interact. energy: -0.020
local terms energy: -85.835290
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -210.160455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.160455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.160455 (E_RNA)
where:
Base-Base interactions energy: -137.233
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.680
local terms energy: -72.247349
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -7.355
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: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -213.200370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.200370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.200370 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -67.914
Base-Backbone interact. energy: 1.022
local terms energy: -79.685307
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.454
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: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -182.989070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.989070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.989070 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -56.024
Base-Backbone interact. energy: -0.184
local terms energy: -63.700736
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -183.546862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.546862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.546862 (E_RNA)
where:
Base-Base interactions energy: -115.450
where: short stacking energy: -49.649
Base-Backbone interact. energy: -0.460
local terms energy: -67.636079
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -14.458
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: 169
Temperature: 1.300000
Total energy: -87.884901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.884901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.884901 (E_RNA)
where:
Base-Base interactions energy: -25.147
where: short stacking energy: -25.147
Base-Backbone interact. energy: -0.052
local terms energy: -62.686242
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -85.290068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.290068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.290068 (E_RNA)
where:
Base-Base interactions energy: -26.282
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.367
local terms energy: -58.641024
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -250.268888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.268888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.268888 (E_RNA)
where:
Base-Base interactions energy: -176.560
where: short stacking energy: -60.751
Base-Backbone interact. energy: -0.493
local terms energy: -73.215803
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -220.033044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.033044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.033044 (E_RNA)
where:
Base-Base interactions energy: -136.818
where: short stacking energy: -55.558
Base-Backbone interact. energy: -0.412
local terms energy: -82.802641
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -18.034
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: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -224.576793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.576793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.576793 (E_RNA)
where:
Base-Base interactions energy: -146.862
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.555
local terms energy: -77.159626
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -10.941
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: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -216.489551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.489551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.489551 (E_RNA)
where:
Base-Base interactions energy: -136.253
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.229
local terms energy: -80.007468
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -199.237042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.237042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.237042 (E_RNA)
where:
Base-Base interactions energy: -121.039
where: short stacking energy: -62.272
Base-Backbone interact. energy: -0.142
local terms energy: -78.055595
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -14.177
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: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -196.017951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.017951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.017951 (E_RNA)
where:
Base-Base interactions energy: -118.248
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.145
local terms energy: -77.625238
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -197.351587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.351587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.351587 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -63.263
Base-Backbone interact. energy: -0.033
local terms energy: -74.001887
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -20.190
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: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -186.184274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.184274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.184274 (E_RNA)
where:
Base-Base interactions energy: -116.998
where: short stacking energy: -50.261
Base-Backbone interact. energy: -0.086
local terms energy: -69.100609
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -94.880427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.880427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.880427 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -25.727
Base-Backbone interact. energy: -0.035
local terms energy: -67.057021
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -6.634
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -95.409642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.409642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.409642 (E_RNA)
where:
Base-Base interactions energy: -43.010
where: short stacking energy: -41.818
Base-Backbone interact. energy: -0.009
local terms energy: -52.390041
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -260.454521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.454521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.454521 (E_RNA)
where:
Base-Base interactions energy: -171.776
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.702
local terms energy: -87.976775
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -20.946
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: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -228.459206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.459206 (E_RNA)
where:
Base-Base interactions energy: -147.180
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.239
local terms energy: -81.039846
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -12.260
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: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -212.109033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.109033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.109033 (E_RNA)
where:
Base-Base interactions energy: -131.222
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.056
local terms energy: -80.830602
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -207.484039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.484039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.484039 (E_RNA)
where:
Base-Base interactions energy: -133.680
where: short stacking energy: -56.595
Base-Backbone interact. energy: 0.016
local terms energy: -73.819472
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -201.912637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.912637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.912637 (E_RNA)
where:
Base-Base interactions energy: -126.547
where: short stacking energy: -69.566
Base-Backbone interact. energy: -0.074
local terms energy: -75.292021
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -200.977453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.977453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.977453 (E_RNA)
where:
Base-Base interactions energy: -125.026
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.070
local terms energy: -75.881550
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -18.182
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: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -194.966556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.966556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.966556 (E_RNA)
where:
Base-Base interactions energy: -118.096
where: short stacking energy: -57.341
Base-Backbone interact. energy: 0.013
local terms energy: -76.883514
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -13.234
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: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -178.661317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.661317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.661317 (E_RNA)
where:
Base-Base interactions energy: -109.824
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.279
local terms energy: -68.558310
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -92.976650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.976650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.976650 (E_RNA)
where:
Base-Base interactions energy: -34.883
where: short stacking energy: -34.883
Base-Backbone interact. energy: -0.355
local terms energy: -57.738765
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -94.164662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.164662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.164662 (E_RNA)
where:
Base-Base interactions energy: -33.550
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.111
local terms energy: -60.503629
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -2.548
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: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -271.724253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.724253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.724253 (E_RNA)
where:
Base-Base interactions energy: -181.807
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.120
local terms energy: -89.797232
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -229.821688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.821688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.821688 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -81.443
Base-Backbone interact. energy: -1.013
local terms energy: -80.855697
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -2.078
tors. eta vs tors. theta energy: -24.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -226.897252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.897252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.897252 (E_RNA)
where:
Base-Base interactions energy: -134.867
where: short stacking energy: -71.186
Base-Backbone interact. energy: -0.081
local terms energy: -91.949764
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -23.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -216.561992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.561992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.561992 (E_RNA)
where:
Base-Base interactions energy: -136.917
where: short stacking energy: -68.869
Base-Backbone interact. energy: -0.028
local terms energy: -79.616565
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -198.623541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.623541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.623541 (E_RNA)
where:
Base-Base interactions energy: -122.656
where: short stacking energy: -62.021
Base-Backbone interact. energy: -0.054
local terms energy: -75.913872
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -14.183
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: 172
Temperature: 1.150000
Total energy: -202.575110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.575110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.575110 (E_RNA)
where:
Base-Base interactions energy: -126.331
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.088
local terms energy: -76.156604
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -180.686592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.686592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.686592 (E_RNA)
where:
Base-Base interactions energy: -115.324
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.087
local terms energy: -65.276068
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -181.372006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.372006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.372006 (E_RNA)
where:
Base-Base interactions energy: -114.750
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.540
local terms energy: -66.081782
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -11.276
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: 172
Temperature: 1.300000
Total energy: -88.000016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.000016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.000016 (E_RNA)
where:
Base-Base interactions energy: -23.738
where: short stacking energy: -23.738
Base-Backbone interact. energy: -0.504
local terms energy: -63.757732
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -78.256669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.256669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.256669 (E_RNA)
where:
Base-Base interactions energy: -31.579
where: short stacking energy: -19.612
Base-Backbone interact. energy: -0.247
local terms energy: -46.430453
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -269.814815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.814815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.814815 (E_RNA)
where:
Base-Base interactions energy: -176.919
where: short stacking energy: -85.971
Base-Backbone interact. energy: 2.026
local terms energy: -94.921709
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -239.461028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.461028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.461028 (E_RNA)
where:
Base-Base interactions energy: -159.804
where: short stacking energy: -73.418
Base-Backbone interact. energy: 2.729
local terms energy: -82.386827
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -20.267
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: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -221.976635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.976635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.976635 (E_RNA)
where:
Base-Base interactions energy: -140.650
where: short stacking energy: -71.594
Base-Backbone interact. energy: -1.324
local terms energy: -80.001879
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -210.421850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.421850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.421850 (E_RNA)
where:
Base-Base interactions energy: -127.558
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.612
local terms energy: -82.251841
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -203.162985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.162985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.162985 (E_RNA)
where:
Base-Base interactions energy: -128.184
where: short stacking energy: -62.663
Base-Backbone interact. energy: -1.235
local terms energy: -73.744118
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -19.475
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: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -203.053216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.053216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.053216 (E_RNA)
where:
Base-Base interactions energy: -134.026
where: short stacking energy: -61.829
Base-Backbone interact. energy: -1.320
local terms energy: -67.707100
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -10.572
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: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -195.519202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.519202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.519202 (E_RNA)
where:
Base-Base interactions energy: -126.123
where: short stacking energy: -67.969
Base-Backbone interact. energy: -0.094
local terms energy: -69.302851
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -179.922048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.922048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.922048 (E_RNA)
where:
Base-Base interactions energy: -110.494
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.435
local terms energy: -68.992595
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -11.806
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: 173
Temperature: 1.300000
Total energy: -102.521271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.521271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.521271 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.081
local terms energy: -63.776730
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -89.809899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809899 (E_RNA)
where:
Base-Base interactions energy: -28.376
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.928
local terms energy: -60.505659
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -270.440686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.440686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.440686 (E_RNA)
where:
Base-Base interactions energy: -183.569
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.465
local terms energy: -86.405837
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -19.173
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: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -237.109438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.109438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.109438 (E_RNA)
where:
Base-Base interactions energy: -155.444
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.245
local terms energy: -81.420880
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -224.314813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.314813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.314813 (E_RNA)
where:
Base-Base interactions energy: -142.169
where: short stacking energy: -66.558
Base-Backbone interact. energy: -0.163
local terms energy: -81.983245
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -10.527
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: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -201.018030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.018030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.018030 (E_RNA)
where:
Base-Base interactions energy: -124.723
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.241
local terms energy: -76.053878
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -187.252651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.252651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.252651 (E_RNA)
where:
Base-Base interactions energy: -109.927
where: short stacking energy: -57.815
Base-Backbone interact. energy: -1.504
local terms energy: -75.821759
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -180.174867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.174867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.174867 (E_RNA)
where:
Base-Base interactions energy: -104.094
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.024
local terms energy: -76.056891
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -184.687599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.687599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.687599 (E_RNA)
where:
Base-Base interactions energy: -107.784
where: short stacking energy: -53.624
Base-Backbone interact. energy: 0.390
local terms energy: -77.293399
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -186.753456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.753456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.753456 (E_RNA)
where:
Base-Base interactions energy: -109.536
where: short stacking energy: -56.093
Base-Backbone interact. energy: -1.362
local terms energy: -75.855247
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -13.705
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: 174
Temperature: 1.300000
Total energy: -92.656247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.656247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.656247 (E_RNA)
where:
Base-Base interactions energy: -29.876
where: short stacking energy: -27.691
Base-Backbone interact. energy: -0.115
local terms energy: -62.664922
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -4.483
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: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -98.526234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.526234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.526234 (E_RNA)
where:
Base-Base interactions energy: -34.719
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.191
local terms energy: -63.615498
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -1.371
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: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -262.998896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.998896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.998896 (E_RNA)
where:
Base-Base interactions energy: -182.279
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.588
local terms energy: -80.132080
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -227.524980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.524980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.524980 (E_RNA)
where:
Base-Base interactions energy: -143.824
where: short stacking energy: -69.893
Base-Backbone interact. energy: -0.052
local terms energy: -83.648905
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -18.115
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: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -218.977874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.977874 (E_RNA)
where:
Base-Base interactions energy: -141.234
where: short stacking energy: -66.789
Base-Backbone interact. energy: -0.171
local terms energy: -77.573164
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -208.929135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.929135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.929135 (E_RNA)
where:
Base-Base interactions energy: -130.981
where: short stacking energy: -67.704
Base-Backbone interact. energy: -0.198
local terms energy: -77.749908
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -18.152
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: 175
Temperature: 1.100000
Total energy: -196.963366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.963366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.963366 (E_RNA)
where:
Base-Base interactions energy: -118.088
where: short stacking energy: -56.890
Base-Backbone interact. energy: -0.530
local terms energy: -78.345379
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -184.804305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.804305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.804305 (E_RNA)
where:
Base-Base interactions energy: -115.404
where: short stacking energy: -57.873
Base-Backbone interact. energy: 0.083
local terms energy: -69.483606
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -195.829762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.829762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.829762 (E_RNA)
where:
Base-Base interactions energy: -128.208
where: short stacking energy: -52.128
Base-Backbone interact. energy: -0.286
local terms energy: -67.335485
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -12.625
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: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -166.819875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.819875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.819875 (E_RNA)
where:
Base-Base interactions energy: -104.045
where: short stacking energy: -49.388
Base-Backbone interact. energy: -0.130
local terms energy: -62.644044
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -87.800830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.800830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.800830 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.107
local terms energy: -50.519568
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -6.501
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -90.125764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.125764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.125764 (E_RNA)
where:
Base-Base interactions energy: -30.273
where: short stacking energy: -22.509
Base-Backbone interact. energy: 0.421
local terms energy: -60.274056
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -8.553
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: 176
Temperature: 0.900000
Total energy: -272.436164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.436164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.436164 (E_RNA)
where:
Base-Base interactions energy: -190.185
where: short stacking energy: -78.345
Base-Backbone interact. energy: 0.208
local terms energy: -82.459951
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -19.619
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: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -216.576196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.576196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.576196 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -68.515
Base-Backbone interact. energy: -0.252
local terms energy: -78.952100
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.562
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: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -214.071899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.071899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.071899 (E_RNA)
where:
Base-Base interactions energy: -133.651
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.496
local terms energy: -79.925754
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -11.952
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: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -225.874560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.874560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.874560 (E_RNA)
where:
Base-Base interactions energy: -142.667
where: short stacking energy: -80.004
Base-Backbone interact. energy: -0.986
local terms energy: -82.221670
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -23.866
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: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -206.077796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.077796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.077796 (E_RNA)
where:
Base-Base interactions energy: -131.204
where: short stacking energy: -64.288
Base-Backbone interact. energy: -0.104
local terms energy: -74.769798
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -208.260187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.260187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.260187 (E_RNA)
where:
Base-Base interactions energy: -132.099
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.159
local terms energy: -76.002313
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -187.375773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.375773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.375773 (E_RNA)
where:
Base-Base interactions energy: -112.895
where: short stacking energy: -54.806
Base-Backbone interact. energy: 1.147
local terms energy: -75.627275
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -14.639
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: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -185.680983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.680983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.680983 (E_RNA)
where:
Base-Base interactions energy: -115.431
where: short stacking energy: -58.509
Base-Backbone interact. energy: -0.221
local terms energy: -70.028678
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -10.843
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -92.510714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.510714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.510714 (E_RNA)
where:
Base-Base interactions energy: -39.980
where: short stacking energy: -39.212
Base-Backbone interact. energy: -0.070
local terms energy: -52.460265
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -91.587621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.587621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.587621 (E_RNA)
where:
Base-Base interactions energy: -38.094
where: short stacking energy: -37.043
Base-Backbone interact. energy: -0.163
local terms energy: -53.329726
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -8.708
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: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -276.839665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.839665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.839665 (E_RNA)
where:
Base-Base interactions energy: -189.196
where: short stacking energy: -76.309
Base-Backbone interact. energy: -0.466
local terms energy: -87.177762
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -15.090
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: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -230.769278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.769278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.769278 (E_RNA)
where:
Base-Base interactions energy: -140.651
where: short stacking energy: -78.847
Base-Backbone interact. energy: -0.392
local terms energy: -89.726069
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -211.391814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.391814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.391814 (E_RNA)
where:
Base-Base interactions energy: -138.258
where: short stacking energy: -67.627
Base-Backbone interact. energy: -0.550
local terms energy: -72.583871
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -14.675
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: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -209.049014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.049014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.049014 (E_RNA)
where:
Base-Base interactions energy: -133.983
where: short stacking energy: -65.074
Base-Backbone interact. energy: 0.064
local terms energy: -75.130245
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -8.967
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: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -203.291744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.291744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.291744 (E_RNA)
where:
Base-Base interactions energy: -128.259
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.423
local terms energy: -74.610079
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -171.406013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.406013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.406013 (E_RNA)
where:
Base-Base interactions energy: -100.094
where: short stacking energy: -45.955
Base-Backbone interact. energy: 0.452
local terms energy: -71.763181
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -184.746079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.746079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.746079 (E_RNA)
where:
Base-Base interactions energy: -106.693
where: short stacking energy: -46.408
Base-Backbone interact. energy: -0.106
local terms energy: -77.947046
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -159.366437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.366437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.366437 (E_RNA)
where:
Base-Base interactions energy: -103.707
where: short stacking energy: -47.571
Base-Backbone interact. energy: -0.293
local terms energy: -55.367317
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -94.022379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.022379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.022379 (E_RNA)
where:
Base-Base interactions energy: -30.889
where: short stacking energy: -30.889
Base-Backbone interact. energy: 0.047
local terms energy: -63.180551
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -10.361
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: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -91.774653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.774653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.774653 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.033
local terms energy: -60.727626
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -263.301183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.301183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.301183 (E_RNA)
where:
Base-Base interactions energy: -179.519
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.456
local terms energy: -83.326050
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -17.457
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: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -216.104797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.104797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.104797 (E_RNA)
where:
Base-Base interactions energy: -138.917
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.890
local terms energy: -76.298065
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -12.785
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: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -215.656274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.656274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.656274 (E_RNA)
where:
Base-Base interactions energy: -130.727
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.039
local terms energy: -84.890200
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -205.588365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.588365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.588365 (E_RNA)
where:
Base-Base interactions energy: -126.903
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.768
local terms energy: -77.917755
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -12.688
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: 178
Temperature: 1.100000
Total energy: -207.197017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.197017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.197017 (E_RNA)
where:
Base-Base interactions energy: -127.151
where: short stacking energy: -58.401
Base-Backbone interact. energy: -0.538
local terms energy: -79.507246
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -168.496352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.496352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.496352 (E_RNA)
where:
Base-Base interactions energy: -102.974
where: short stacking energy: -51.408
Base-Backbone interact. energy: -0.358
local terms energy: -65.164862
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -4.723
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: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -177.683720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.683720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.683720 (E_RNA)
where:
Base-Base interactions energy: -108.528
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.102
local terms energy: -69.053340
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -177.907429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.907429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.907429 (E_RNA)
where:
Base-Base interactions energy: -111.797
where: short stacking energy: -52.617
Base-Backbone interact. energy: -0.123
local terms energy: -65.987072
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -11.269
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: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -95.702850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.702850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.702850 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -31.974
Base-Backbone interact. energy: -0.006
local terms energy: -63.722340
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -6.732
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: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -84.307710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.307710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.307710 (E_RNA)
where:
Base-Base interactions energy: -22.157
where: short stacking energy: -22.157
Base-Backbone interact. energy: -0.224
local terms energy: -61.927101
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -267.742305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.742305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.742305 (E_RNA)
where:
Base-Base interactions energy: -188.076
where: short stacking energy: -79.309
Base-Backbone interact. energy: -0.482
local terms energy: -79.184386
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -228.373348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.373348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.373348 (E_RNA)
where:
Base-Base interactions energy: -136.417
where: short stacking energy: -76.752
Base-Backbone interact. energy: -0.195
local terms energy: -91.761439
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -213.556072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.556072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.556072 (E_RNA)
where:
Base-Base interactions energy: -132.999
where: short stacking energy: -71.633
Base-Backbone interact. energy: -0.050
local terms energy: -80.507026
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -19.396
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: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -211.031708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.031708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.031708 (E_RNA)
where:
Base-Base interactions energy: -134.072
where: short stacking energy: -64.058
Base-Backbone interact. energy: -0.762
local terms energy: -76.197535
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -11.778
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: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -210.855403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.855403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.855403 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -65.280
Base-Backbone interact. energy: -0.032
local terms energy: -72.774905
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -192.081761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.081761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.081761 (E_RNA)
where:
Base-Base interactions energy: -111.671
where: short stacking energy: -55.496
Base-Backbone interact. energy: -0.105
local terms energy: -80.306064
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -11.826
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: 179
Temperature: 1.200000
Total energy: -170.592144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.592144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.592144 (E_RNA)
where:
Base-Base interactions energy: -114.515
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.504
local terms energy: -55.573306
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: 2.522
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: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -180.289181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.289181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.289181 (E_RNA)
where:
Base-Base interactions energy: -104.136
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.140
local terms energy: -76.013360
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -15.750
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: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -91.620006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.620006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.620006 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -18.440
Base-Backbone interact. energy: -0.497
local terms energy: -51.573120
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -0.477
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: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -77.606241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.606241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.606241 (E_RNA)
where:
Base-Base interactions energy: -34.589
where: short stacking energy: -22.050
Base-Backbone interact. energy: -0.436
local terms energy: -42.581320
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: 0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -271.237313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.237313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.237313 (E_RNA)
where:
Base-Base interactions energy: -182.862
where: short stacking energy: -72.404
Base-Backbone interact. energy: -0.544
local terms energy: -87.830810
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -12.542
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: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -217.438238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.438238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.438238 (E_RNA)
where:
Base-Base interactions energy: -134.355
where: short stacking energy: -79.865
Base-Backbone interact. energy: -0.001
local terms energy: -83.082388
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -203.291092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.291092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.291092 (E_RNA)
where:
Base-Base interactions energy: -129.448
where: short stacking energy: -59.378
Base-Backbone interact. energy: -0.090
local terms energy: -73.752699
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -202.750820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.750820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.750820 (E_RNA)
where:
Base-Base interactions energy: -121.319
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.110
local terms energy: -81.322341
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -208.322588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.322588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.322588 (E_RNA)
where:
Base-Base interactions energy: -122.745
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.174
local terms energy: -85.404189
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -188.698693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.698693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.698693 (E_RNA)
where:
Base-Base interactions energy: -116.351
where: short stacking energy: -60.347
Base-Backbone interact. energy: -0.271
local terms energy: -72.077553
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -7.531
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: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -181.608042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.608042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.608042 (E_RNA)
where:
Base-Base interactions energy: -117.052
where: short stacking energy: -49.922
Base-Backbone interact. energy: -0.175
local terms energy: -64.380952
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -169.330315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.330315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.330315 (E_RNA)
where:
Base-Base interactions energy: -101.718
where: short stacking energy: -51.209
Base-Backbone interact. energy: -0.021
local terms energy: -67.591511
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -87.972934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972934 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -30.022
Base-Backbone interact. energy: -0.163
local terms energy: -57.787932
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -104.259574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.259574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.259574 (E_RNA)
where:
Base-Base interactions energy: -44.140
where: short stacking energy: -42.541
Base-Backbone interact. energy: -0.620
local terms energy: -59.499963
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -11.312
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: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -276.310773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.310773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.310773 (E_RNA)
where:
Base-Base interactions energy: -196.455
where: short stacking energy: -69.914
Base-Backbone interact. energy: 0.063
local terms energy: -79.918653
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -223.935784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.935784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.935784 (E_RNA)
where:
Base-Base interactions energy: -138.946
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.341
local terms energy: -84.649389
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.240
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: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -219.761030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.761030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.761030 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -69.406
Base-Backbone interact. energy: 0.109
local terms energy: -79.236090
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -18.033
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: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -217.218812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.218812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.218812 (E_RNA)
where:
Base-Base interactions energy: -138.573
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.170
local terms energy: -78.476546
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -6.952
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: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -202.116583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.116583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.116583 (E_RNA)
where:
Base-Base interactions energy: -124.898
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.528
local terms energy: -76.690022
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -199.334958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.334958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.334958 (E_RNA)
where:
Base-Base interactions energy: -120.065
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.004
local terms energy: -79.265617
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -173.197744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.197744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.197744 (E_RNA)
where:
Base-Base interactions energy: -105.320
where: short stacking energy: -47.173
Base-Backbone interact. energy: 0.041
local terms energy: -67.918514
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -6.775
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: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -167.942878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.942878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.942878 (E_RNA)
where:
Base-Base interactions energy: -101.034
where: short stacking energy: -44.389
Base-Backbone interact. energy: 1.798
local terms energy: -68.706954
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -94.435320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.435320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.435320 (E_RNA)
where:
Base-Base interactions energy: -36.374
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.139
local terms energy: -57.922513
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -4.170
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: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -89.773846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.773846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.773846 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -25.221
Base-Backbone interact. energy: -0.937
local terms energy: -48.951261
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: 1.960
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: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -267.373244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.373244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.373244 (E_RNA)
where:
Base-Base interactions energy: -184.779
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.443
local terms energy: -82.151413
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -232.028134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.028134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.028134 (E_RNA)
where:
Base-Base interactions energy: -143.002
where: short stacking energy: -82.197
Base-Backbone interact. energy: -0.001
local terms energy: -89.025208
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -23.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -228.700491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.700491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.700491 (E_RNA)
where:
Base-Base interactions energy: -154.436
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.182
local terms energy: -74.082837
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -199.232509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.232509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.232509 (E_RNA)
where:
Base-Base interactions energy: -123.952
where: short stacking energy: -49.927
Base-Backbone interact. energy: -1.114
local terms energy: -74.166901
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -193.090223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.090223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.090223 (E_RNA)
where:
Base-Base interactions energy: -118.667
where: short stacking energy: -61.529
Base-Backbone interact. energy: 0.141
local terms energy: -74.563758
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -188.919572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.919572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.919572 (E_RNA)
where:
Base-Base interactions energy: -112.955
where: short stacking energy: -56.860
Base-Backbone interact. energy: -0.014
local terms energy: -75.950576
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -182.506015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.506015 (E_RNA)
where:
Base-Base interactions energy: -106.115
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.006
local terms energy: -76.384775
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -179.138901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.138901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.138901 (E_RNA)
where:
Base-Base interactions energy: -112.621
where: short stacking energy: -52.210
Base-Backbone interact. energy: -1.700
local terms energy: -64.818079
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -83.476147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476147 (E_RNA)
where:
Base-Base interactions energy: -38.363
where: short stacking energy: -12.155
Base-Backbone interact. energy: -0.766
local terms energy: -44.347438
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -6.917
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: 4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -97.413737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.413737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.413737 (E_RNA)
where:
Base-Base interactions energy: -34.142
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.179
local terms energy: -63.092959
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.344
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: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -267.857852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.857852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.857852 (E_RNA)
where:
Base-Base interactions energy: -179.394
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.766
local terms energy: -87.698378
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -23.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -229.676719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.676719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.676719 (E_RNA)
where:
Base-Base interactions energy: -144.449
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.524
local terms energy: -84.704081
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -17.424
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: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -227.562814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.562814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.562814 (E_RNA)
where:
Base-Base interactions energy: -142.066
where: short stacking energy: -75.541
Base-Backbone interact. energy: 0.455
local terms energy: -85.951572
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -23.018
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: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -207.781267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.781267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.781267 (E_RNA)
where:
Base-Base interactions energy: -124.839
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.006
local terms energy: -82.936524
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -187.145116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.145116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.145116 (E_RNA)
where:
Base-Base interactions energy: -119.619
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.011
local terms energy: -67.514788
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.544
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: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -171.034750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.034750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.034750 (E_RNA)
where:
Base-Base interactions energy: -99.406
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.319
local terms energy: -71.309619
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -16.321
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: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -182.254765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.254765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.254765 (E_RNA)
where:
Base-Base interactions energy: -112.856
where: short stacking energy: -53.334
Base-Backbone interact. energy: -0.095
local terms energy: -69.303779
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -181.923522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.923522 (E_RNA)
where:
Base-Base interactions energy: -108.795
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.141
local terms energy: -72.987369
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -93.159083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.159083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.159083 (E_RNA)
where:
Base-Base interactions energy: -27.677
where: short stacking energy: -27.677
Base-Backbone interact. energy: -0.184
local terms energy: -65.298442
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -8.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -84.674079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.674079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.674079 (E_RNA)
where:
Base-Base interactions energy: -31.110
where: short stacking energy: -27.136
Base-Backbone interact. energy: -0.055
local terms energy: -53.508935
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -1.949
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -269.783036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.783036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.783036 (E_RNA)
where:
Base-Base interactions energy: -185.247
where: short stacking energy: -76.590
Base-Backbone interact. energy: -0.437
local terms energy: -84.099264
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -226.503952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.503952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.503952 (E_RNA)
where:
Base-Base interactions energy: -140.002
where: short stacking energy: -69.014
Base-Backbone interact. energy: -0.700
local terms energy: -85.801734
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -13.336
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: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -221.851375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.851375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.851375 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -74.374
Base-Backbone interact. energy: 0.471
local terms energy: -79.914711
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -11.655
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: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -199.644439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.644439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.644439 (E_RNA)
where:
Base-Base interactions energy: -120.100
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.530
local terms energy: -79.013951
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -171.469236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.469236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.469236 (E_RNA)
where:
Base-Base interactions energy: -103.006
where: short stacking energy: -45.780
Base-Backbone interact. energy: -1.047
local terms energy: -67.416742
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -185.286705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.286705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.286705 (E_RNA)
where:
Base-Base interactions energy: -117.704
where: short stacking energy: -58.149
Base-Backbone interact. energy: -0.009
local terms energy: -67.573737
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -188.928453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.928453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.928453 (E_RNA)
where:
Base-Base interactions energy: -124.285
where: short stacking energy: -60.306
Base-Backbone interact. energy: -1.298
local terms energy: -63.346088
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -15.282
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: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -184.753409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.753409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.753409 (E_RNA)
where:
Base-Base interactions energy: -112.506
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.119
local terms energy: -72.128597
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -89.043952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.043952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.043952 (E_RNA)
where:
Base-Base interactions energy: -32.263
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.092
local terms energy: -56.688826
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: 3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -92.306768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.306768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.306768 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -27.198
Base-Backbone interact. energy: -0.359
local terms energy: -61.786312
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -6.135
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: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -266.109163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.109163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.109163 (E_RNA)
where:
Base-Base interactions energy: -173.818
where: short stacking energy: -74.762
Base-Backbone interact. energy: 0.606
local terms energy: -92.896944
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -228.668258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.668258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.668258 (E_RNA)
where:
Base-Base interactions energy: -141.862
where: short stacking energy: -73.807
Base-Backbone interact. energy: -0.055
local terms energy: -86.751558
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -20.650
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: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -227.428500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.428500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.428500 (E_RNA)
where:
Base-Base interactions energy: -149.405
where: short stacking energy: -74.950
Base-Backbone interact. energy: -0.649
local terms energy: -77.374817
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -21.238
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: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -194.456138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.456138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.456138 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.098
local terms energy: -74.243475
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -210.638938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.638938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.638938 (E_RNA)
where:
Base-Base interactions energy: -134.741
where: short stacking energy: -68.494
Base-Backbone interact. energy: -0.585
local terms energy: -75.313048
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -15.760
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: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -203.277340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.277340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.277340 (E_RNA)
where:
Base-Base interactions energy: -129.451
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.196
local terms energy: -73.630354
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -183.973301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.973301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.973301 (E_RNA)
where:
Base-Base interactions energy: -118.971
where: short stacking energy: -49.202
Base-Backbone interact. energy: -0.007
local terms energy: -64.995291
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -9.277
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: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -176.962009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.962009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.962009 (E_RNA)
where:
Base-Base interactions energy: -110.529
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.126
local terms energy: -66.306452
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -11.421
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: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -94.535788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.535788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.535788 (E_RNA)
where:
Base-Base interactions energy: -30.468
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.304
local terms energy: -63.764418
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -91.272249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.272249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.272249 (E_RNA)
where:
Base-Base interactions energy: -26.187
where: short stacking energy: -22.874
Base-Backbone interact. energy: -0.885
local terms energy: -64.200255
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -224.221443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.221443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.221443 (E_RNA)
where:
Base-Base interactions energy: -140.706
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.007
local terms energy: -83.508862
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -272.841254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.841254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.841254 (E_RNA)
where:
Base-Base interactions energy: -186.530
where: short stacking energy: -78.930
Base-Backbone interact. energy: 0.589
local terms energy: -86.900071
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -225.529632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.529632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.529632 (E_RNA)
where:
Base-Base interactions energy: -144.696
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.002
local terms energy: -80.831911
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -18.927
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: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -218.508012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.508012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.508012 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -63.335
Base-Backbone interact. energy: -1.312
local terms energy: -82.875279
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -215.154670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.154670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.154670 (E_RNA)
where:
Base-Base interactions energy: -126.623
where: short stacking energy: -68.812
Base-Backbone interact. energy: -0.054
local terms energy: -88.477168
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -22.734
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: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -199.158345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.158345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.158345 (E_RNA)
where:
Base-Base interactions energy: -128.802
where: short stacking energy: -54.773
Base-Backbone interact. energy: -1.015
local terms energy: -69.341325
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -13.550
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: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -176.193401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.193401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.193401 (E_RNA)
where:
Base-Base interactions energy: -113.791
where: short stacking energy: -53.131
Base-Backbone interact. energy: -0.522
local terms energy: -61.880263
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -188.274706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.274706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.274706 (E_RNA)
where:
Base-Base interactions energy: -118.092
where: short stacking energy: -60.680
Base-Backbone interact. energy: 0.137
local terms energy: -70.319187
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -14.640
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: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -84.527763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.527763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.527763 (E_RNA)
where:
Base-Base interactions energy: -26.042
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.247
local terms energy: -58.238425
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -10.319
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: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -81.795204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.795204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.795204 (E_RNA)
where:
Base-Base interactions energy: -27.836
where: short stacking energy: -23.999
Base-Backbone interact. energy: -0.497
local terms energy: -53.462363
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -222.208614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.208614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.208614 (E_RNA)
where:
Base-Base interactions energy: -133.682
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.010
local terms energy: -88.517357
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.611
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: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -270.212749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.212749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.212749 (E_RNA)
where:
Base-Base interactions energy: -173.536
where: short stacking energy: -70.527
Base-Backbone interact. energy: -0.840
local terms energy: -95.836785
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -219.631972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.631972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.631972 (E_RNA)
where:
Base-Base interactions energy: -144.028
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.641
local terms energy: -74.962950
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -19.431
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: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -224.453863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.453863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.453863 (E_RNA)
where:
Base-Base interactions energy: -140.393
where: short stacking energy: -80.664
Base-Backbone interact. energy: 0.170
local terms energy: -84.231291
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -192.369981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.369981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.369981 (E_RNA)
where:
Base-Base interactions energy: -124.541
where: short stacking energy: -53.389
Base-Backbone interact. energy: -1.089
local terms energy: -66.740265
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.693
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: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -193.908519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.908519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.908519 (E_RNA)
where:
Base-Base interactions energy: -118.946
where: short stacking energy: -52.910
Base-Backbone interact. energy: -0.407
local terms energy: -74.556058
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -189.582982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.582982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.582982 (E_RNA)
where:
Base-Base interactions energy: -125.842
where: short stacking energy: -48.215
Base-Backbone interact. energy: -0.200
local terms energy: -63.540858
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -10.943
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: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -185.904097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.904097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.904097 (E_RNA)
where:
Base-Base interactions energy: -114.560
where: short stacking energy: -57.132
Base-Backbone interact. energy: -0.185
local terms energy: -71.158732
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -11.110
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: 187
Temperature: 1.300000
Total energy: -85.464079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.464079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.464079 (E_RNA)
where:
Base-Base interactions energy: -28.115
where: short stacking energy: -21.795
Base-Backbone interact. energy: 1.438
local terms energy: -58.786534
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -101.231470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.231470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.231470 (E_RNA)
where:
Base-Base interactions energy: -47.858
where: short stacking energy: -38.450
Base-Backbone interact. energy: 0.377
local terms energy: -53.750340
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -281.355001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.355001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.355001 (E_RNA)
where:
Base-Base interactions energy: -188.083
where: short stacking energy: -74.902
Base-Backbone interact. energy: -0.704
local terms energy: -92.568395
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -234.066665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.066665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.066665 (E_RNA)
where:
Base-Base interactions energy: -140.982
where: short stacking energy: -75.619
Base-Backbone interact. energy: -0.649
local terms energy: -92.436240
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -23.502
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: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -216.005837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.005837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.005837 (E_RNA)
where:
Base-Base interactions energy: -135.479
where: short stacking energy: -72.373
Base-Backbone interact. energy: -0.028
local terms energy: -80.498464
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -12.891
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: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -208.152972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.152972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.152972 (E_RNA)
where:
Base-Base interactions energy: -133.032
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.019
local terms energy: -75.101974
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -20.435
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: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -203.566702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.566702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.566702 (E_RNA)
where:
Base-Base interactions energy: -128.161
where: short stacking energy: -65.852
Base-Backbone interact. energy: -0.719
local terms energy: -74.686207
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -178.099388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.099388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.099388 (E_RNA)
where:
Base-Base interactions energy: -109.268
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.177
local terms energy: -68.654162
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -12.777
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: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -208.078364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.078364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.078364 (E_RNA)
where:
Base-Base interactions energy: -128.630
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.235
local terms energy: -79.213903
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.071
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: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -190.325823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.325823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.325823 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.201
local terms energy: -63.345155
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -85.167922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.167922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.167922 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.554
local terms energy: -47.832042
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -86.923924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.923924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.923924 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -26.145
Base-Backbone interact. energy: -0.912
local terms energy: -53.814866
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -0.326
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: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -271.740887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.740887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.740887 (E_RNA)
where:
Base-Base interactions energy: -187.846
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.342
local terms energy: -83.552486
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -20.942
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: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -223.468502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.468502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.468502 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -71.641
Base-Backbone interact. energy: 0.222
local terms energy: -87.001918
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -15.016
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -205.357030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.357030 (E_RNA)
where:
Base-Base interactions energy: -127.520
where: short stacking energy: -62.583
Base-Backbone interact. energy: 1.337
local terms energy: -79.173250
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -200.839994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.839994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.839994 (E_RNA)
where:
Base-Base interactions energy: -128.233
where: short stacking energy: -62.213
Base-Backbone interact. energy: -0.085
local terms energy: -72.521338
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -9.378
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: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -201.622801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.622801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.622801 (E_RNA)
where:
Base-Base interactions energy: -128.835
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.024
local terms energy: -72.763434
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -201.343651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.343651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.343651 (E_RNA)
where:
Base-Base interactions energy: -130.667
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.501
local terms energy: -70.176526
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -12.671
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: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -194.373631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.373631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.373631 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.131
local terms energy: -70.466233
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -170.669147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.669147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.669147 (E_RNA)
where:
Base-Base interactions energy: -102.763
where: short stacking energy: -47.194
Base-Backbone interact. energy: -0.235
local terms energy: -67.671278
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -11.578
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: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -91.499255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.499255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.499255 (E_RNA)
where:
Base-Base interactions energy: -30.483
where: short stacking energy: -30.483
Base-Backbone interact. energy: -0.425
local terms energy: -60.591497
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -80.480985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.480985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.480985 (E_RNA)
where:
Base-Base interactions energy: -24.687
where: short stacking energy: -24.687
Base-Backbone interact. energy: 1.846
local terms energy: -57.639812
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -261.225215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.225215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.225215 (E_RNA)
where:
Base-Base interactions energy: -179.657
where: short stacking energy: -69.452
Base-Backbone interact. energy: -0.885
local terms energy: -80.682789
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -216.382745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.382745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.382745 (E_RNA)
where:
Base-Base interactions energy: -133.312
where: short stacking energy: -69.635
Base-Backbone interact. energy: -0.677
local terms energy: -82.393087
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -20.977
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: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -216.419196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.419196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.419196 (E_RNA)
where:
Base-Base interactions energy: -133.432
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.008
local terms energy: -82.979605
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -14.182
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: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -206.659095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.659095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.659095 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -65.819
Base-Backbone interact. energy: -1.338
local terms energy: -78.454143
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -13.432
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: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -197.209542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.209542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.209542 (E_RNA)
where:
Base-Base interactions energy: -121.599
where: short stacking energy: -50.635
Base-Backbone interact. energy: -0.138
local terms energy: -75.472916
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -9.653
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: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -194.647566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.647566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.647566 (E_RNA)
where:
Base-Base interactions energy: -120.281
where: short stacking energy: -63.917
Base-Backbone interact. energy: -0.236
local terms energy: -74.130733
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -19.623
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -189.359434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.359434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.359434 (E_RNA)
where:
Base-Base interactions energy: -118.840
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.295
local terms energy: -70.223652
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -17.563
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: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -180.539228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.539228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.539228 (E_RNA)
where:
Base-Base interactions energy: -109.922
where: short stacking energy: -47.611
Base-Backbone interact. energy: -0.197
local terms energy: -70.419649
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -86.654308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.654308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.654308 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -29.475
Base-Backbone interact. energy: -0.128
local terms energy: -52.551821
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -89.994407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.994407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.994407 (E_RNA)
where:
Base-Base interactions energy: -43.692
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.739
local terms energy: -45.562969
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: 1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -269.049901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.049901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.049901 (E_RNA)
where:
Base-Base interactions energy: -184.359
where: short stacking energy: -78.658
Base-Backbone interact. energy: -0.462
local terms energy: -84.229382
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -11.438
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: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -222.654737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.654737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.654737 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -73.274
Base-Backbone interact. energy: -0.871
local terms energy: -85.495514
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -22.310
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: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -227.266856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.266856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.266856 (E_RNA)
where:
Base-Base interactions energy: -150.795
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.075
local terms energy: -76.396543
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.670
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: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -213.119230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.119230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.119230 (E_RNA)
where:
Base-Base interactions energy: -122.135
where: short stacking energy: -69.907
Base-Backbone interact. energy: -0.012
local terms energy: -90.972299
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -201.037168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.037168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.037168 (E_RNA)
where:
Base-Base interactions energy: -125.746
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.011
local terms energy: -75.280865
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -10.316
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: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -189.957438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.957438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.957438 (E_RNA)
where:
Base-Base interactions energy: -115.126
where: short stacking energy: -61.579
Base-Backbone interact. energy: -0.003
local terms energy: -74.828394
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -189.487679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.487679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.487679 (E_RNA)
where:
Base-Base interactions energy: -107.542
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.405
local terms energy: -81.540289
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -15.947
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: 191
Temperature: 1.250000
Total energy: -162.465922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.465922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.465922 (E_RNA)
where:
Base-Base interactions energy: -93.772
where: short stacking energy: -38.665
Base-Backbone interact. energy: 0.140
local terms energy: -68.834225
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -91.214793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.214793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.214793 (E_RNA)
where:
Base-Base interactions energy: -33.587
where: short stacking energy: -30.181
Base-Backbone interact. energy: -0.108
local terms energy: -57.519115
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -97.034022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.034022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.034022 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -19.503
Base-Backbone interact. energy: -0.268
local terms energy: -57.106234
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -7.277
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: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -237.470677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.470677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.470677 (E_RNA)
where:
Base-Base interactions energy: -144.151
where: short stacking energy: -83.440
Base-Backbone interact. energy: -1.185
local terms energy: -92.134130
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -259.040984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.040984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.040984 (E_RNA)
where:
Base-Base interactions energy: -182.552
where: short stacking energy: -74.579
Base-Backbone interact. energy: 0.915
local terms energy: -77.404131
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -222.015161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.015161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.015161 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.642
local terms energy: -82.968445
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -205.358232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.358232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.358232 (E_RNA)
where:
Base-Base interactions energy: -130.861
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.084
local terms energy: -74.413901
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -192.305646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.305646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305646 (E_RNA)
where:
Base-Base interactions energy: -119.954
where: short stacking energy: -57.439
Base-Backbone interact. energy: -0.691
local terms energy: -71.660757
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -190.068077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.068077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.068077 (E_RNA)
where:
Base-Base interactions energy: -121.135
where: short stacking energy: -52.421
Base-Backbone interact. energy: -0.803
local terms energy: -68.129851
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -10.480
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: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -176.870558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.870558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.870558 (E_RNA)
where:
Base-Base interactions energy: -108.892
where: short stacking energy: -46.465
Base-Backbone interact. energy: -0.415
local terms energy: -67.564376
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -13.360
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: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -159.838818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.838818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.838818 (E_RNA)
where:
Base-Base interactions energy: -90.977
where: short stacking energy: -48.152
Base-Backbone interact. energy: -0.010
local terms energy: -68.851793
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -100.011651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.011651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.011651 (E_RNA)
where:
Base-Base interactions energy: -40.521
where: short stacking energy: -37.722
Base-Backbone interact. energy: -0.166
local terms energy: -59.324421
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -88.071719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.071719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.071719 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.141
local terms energy: -58.938952
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -233.496199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.496199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.496199 (E_RNA)
where:
Base-Base interactions energy: -150.299
where: short stacking energy: -79.256
Base-Backbone interact. energy: 1.003
local terms energy: -84.200625
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -255.337618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.337618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.337618 (E_RNA)
where:
Base-Base interactions energy: -185.540
where: short stacking energy: -78.695
Base-Backbone interact. energy: -0.837
local terms energy: -68.960972
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -220.975681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.975681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.975681 (E_RNA)
where:
Base-Base interactions energy: -141.043
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.393
local terms energy: -79.540064
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -14.220
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: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -199.372402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.372402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.372402 (E_RNA)
where:
Base-Base interactions energy: -125.397
where: short stacking energy: -66.124
Base-Backbone interact. energy: 1.287
local terms energy: -75.262340
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -11.318
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: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -211.075791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.075791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075791 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -72.287
Base-Backbone interact. energy: -0.225
local terms energy: -76.303173
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -21.160
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: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -193.006166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.006166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.006166 (E_RNA)
where:
Base-Base interactions energy: -116.560
where: short stacking energy: -54.153
Base-Backbone interact. energy: -0.513
local terms energy: -75.932977
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -183.060790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.060790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.060790 (E_RNA)
where:
Base-Base interactions energy: -107.060
where: short stacking energy: -55.845
Base-Backbone interact. energy: -0.122
local terms energy: -75.878765
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -8.372
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: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -183.767682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.767682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.767682 (E_RNA)
where:
Base-Base interactions energy: -116.625
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.254
local terms energy: -66.889013
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -86.726339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.726339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.726339 (E_RNA)
where:
Base-Base interactions energy: -26.425
where: short stacking energy: -22.817
Base-Backbone interact. energy: -0.028
local terms energy: -60.273362
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -81.356362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.356362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.356362 (E_RNA)
where:
Base-Base interactions energy: -27.050
where: short stacking energy: -27.050
Base-Backbone interact. energy: -0.186
local terms energy: -54.120992
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -5.296
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: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -272.354624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.354624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.354624 (E_RNA)
where:
Base-Base interactions energy: -184.453
where: short stacking energy: -71.598
Base-Backbone interact. energy: -0.763
local terms energy: -87.139392
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -227.951492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.951492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.951492 (E_RNA)
where:
Base-Base interactions energy: -140.492
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.018
local terms energy: -87.441344
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -222.231795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.231795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.231795 (E_RNA)
where:
Base-Base interactions energy: -140.738
where: short stacking energy: -74.698
Base-Backbone interact. energy: -0.061
local terms energy: -81.433257
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -212.421843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.421843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.421843 (E_RNA)
where:
Base-Base interactions energy: -130.806
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.149
local terms energy: -81.466811
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -15.186
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: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -203.289991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.289991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.289991 (E_RNA)
where:
Base-Base interactions energy: -139.460
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.804
local terms energy: -63.026311
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -14.416
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: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -203.994956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.994956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.994956 (E_RNA)
where:
Base-Base interactions energy: -119.905
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.015
local terms energy: -84.075268
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -180.678896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.678896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.678896 (E_RNA)
where:
Base-Base interactions energy: -102.565
where: short stacking energy: -62.562
Base-Backbone interact. energy: -0.004
local terms energy: -78.109906
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -13.403
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: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -167.006939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.006939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.006939 (E_RNA)
where:
Base-Base interactions energy: -103.218
where: short stacking energy: -45.948
Base-Backbone interact. energy: -0.456
local terms energy: -63.333223
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -5.947
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: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -101.016094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.016094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.016094 (E_RNA)
where:
Base-Base interactions energy: -33.395
where: short stacking energy: -24.126
Base-Backbone interact. energy: -0.285
local terms energy: -67.336504
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.594
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: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -77.999578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999578 (E_RNA)
where:
Base-Base interactions energy: -27.398
where: short stacking energy: -27.398
Base-Backbone interact. energy: 0.225
local terms energy: -50.826001
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -5.169
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: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -266.007070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.007070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.007070 (E_RNA)
where:
Base-Base interactions energy: -177.966
where: short stacking energy: -69.905
Base-Backbone interact. energy: -0.541
local terms energy: -87.499424
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -226.878385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.878385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.878385 (E_RNA)
where:
Base-Base interactions energy: -143.687
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.232
local terms energy: -82.960023
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -212.512790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.512790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.512790 (E_RNA)
where:
Base-Base interactions energy: -141.042
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.053
local terms energy: -71.418031
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -210.629340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.629340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.629340 (E_RNA)
where:
Base-Base interactions energy: -126.729
where: short stacking energy: -71.755
Base-Backbone interact. energy: -0.757
local terms energy: -83.143822
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -194.600315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.600315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.600315 (E_RNA)
where:
Base-Base interactions energy: -133.461
where: short stacking energy: -52.343
Base-Backbone interact. energy: -1.044
local terms energy: -60.094957
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -193.889657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.889657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.889657 (E_RNA)
where:
Base-Base interactions energy: -122.721
where: short stacking energy: -57.844
Base-Backbone interact. energy: -0.002
local terms energy: -71.167010
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -16.575
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: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -180.638516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.638516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.638516 (E_RNA)
where:
Base-Base interactions energy: -109.342
where: short stacking energy: -56.689
Base-Backbone interact. energy: 1.035
local terms energy: -72.331633
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -7.584
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: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -174.110188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.110188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.110188 (E_RNA)
where:
Base-Base interactions energy: -116.302
where: short stacking energy: -51.474
Base-Backbone interact. energy: -0.553
local terms energy: -57.255145
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -84.616079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.616079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.616079 (E_RNA)
where:
Base-Base interactions energy: -28.285
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.214
local terms energy: -56.117241
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -11.228
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: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -91.582015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.582015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.582015 (E_RNA)
where:
Base-Base interactions energy: -36.129
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.630
local terms energy: -54.823291
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -251.502848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.502848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.502848 (E_RNA)
where:
Base-Base interactions energy: -176.513
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.630
local terms energy: -74.359913
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -234.412884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.412884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.412884 (E_RNA)
where:
Base-Base interactions energy: -144.195
where: short stacking energy: -75.023
Base-Backbone interact. energy: -0.137
local terms energy: -90.081431
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -219.451681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.451681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.451681 (E_RNA)
where:
Base-Base interactions energy: -141.344
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.141
local terms energy: -77.967113
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -12.211
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: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -212.307132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.307132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.307132 (E_RNA)
where:
Base-Base interactions energy: -138.690
where: short stacking energy: -60.350
Base-Backbone interact. energy: -0.180
local terms energy: -73.437281
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -207.492313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.492313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.492313 (E_RNA)
where:
Base-Base interactions energy: -127.140
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.187
local terms energy: -80.164698
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -172.500307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.500307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.500307 (E_RNA)
where:
Base-Base interactions energy: -120.482
where: short stacking energy: -51.464
Base-Backbone interact. energy: 0.153
local terms energy: -52.171559
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -185.573025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.573025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.573025 (E_RNA)
where:
Base-Base interactions energy: -120.060
where: short stacking energy: -51.952
Base-Backbone interact. energy: -0.448
local terms energy: -65.064501
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -13.941
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: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -197.934834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.934834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.934834 (E_RNA)
where:
Base-Base interactions energy: -136.372
where: short stacking energy: -54.350
Base-Backbone interact. energy: 0.403
local terms energy: -61.966229
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -12.240
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: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -92.849367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.849367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.849367 (E_RNA)
where:
Base-Base interactions energy: -32.580
where: short stacking energy: -26.051
Base-Backbone interact. energy: -0.382
local terms energy: -59.888275
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -3.304
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: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -90.581806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.581806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.581806 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.060
local terms energy: -61.328101
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -6.277
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: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -266.341005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.341005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.341005 (E_RNA)
where:
Base-Base interactions energy: -176.698
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.482
local terms energy: -89.161009
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -225.970346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.970346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.970346 (E_RNA)
where:
Base-Base interactions energy: -135.785
where: short stacking energy: -68.023
Base-Backbone interact. energy: -0.035
local terms energy: -90.149836
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -21.541
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: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -216.372796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.372796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.372796 (E_RNA)
where:
Base-Base interactions energy: -139.075
where: short stacking energy: -67.757
Base-Backbone interact. energy: -0.119
local terms energy: -77.179666
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -210.133994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.133994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.133994 (E_RNA)
where:
Base-Base interactions energy: -128.255
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.354
local terms energy: -81.524795
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -198.075902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.075902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.075902 (E_RNA)
where:
Base-Base interactions energy: -118.332
where: short stacking energy: -55.598
Base-Backbone interact. energy: -0.259
local terms energy: -79.484556
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -190.664781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.664781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.664781 (E_RNA)
where:
Base-Base interactions energy: -127.116
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.051
local terms energy: -63.497979
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -6.590
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: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -189.986519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986519 (E_RNA)
where:
Base-Base interactions energy: -119.854
where: short stacking energy: -51.030
Base-Backbone interact. energy: -0.142
local terms energy: -69.990951
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -12.570
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: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -175.745670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.745670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.745670 (E_RNA)
where:
Base-Base interactions energy: -109.650
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.358
local terms energy: -65.737806
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -12.297
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -90.034298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.034298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.034298 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -32.317
Base-Backbone interact. energy: -0.066
local terms energy: -57.652129
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -5.283
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: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -86.780685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.780685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.780685 (E_RNA)
where:
Base-Base interactions energy: -34.778
where: short stacking energy: -34.503
Base-Backbone interact. energy: 0.963
local terms energy: -52.966393
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: 0.326
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: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -258.611740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.611740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.611740 (E_RNA)
where:
Base-Base interactions energy: -172.528
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.795
local terms energy: -85.288989
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -20.052
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: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -221.525909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.525909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.525909 (E_RNA)
where:
Base-Base interactions energy: -138.032
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.056
local terms energy: -83.437279
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -19.992
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: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -220.623642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.623642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.623642 (E_RNA)
where:
Base-Base interactions energy: -143.272
where: short stacking energy: -54.910
Base-Backbone interact. energy: -0.285
local terms energy: -77.066512
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -12.551
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: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -211.739250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.739250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.739250 (E_RNA)
where:
Base-Base interactions energy: -125.924
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.210
local terms energy: -85.605417
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -13.709
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: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -204.172078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.172078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.172078 (E_RNA)
where:
Base-Base interactions energy: -124.991
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.808
local terms energy: -78.372377
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -13.374
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: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -200.247954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.247954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.247954 (E_RNA)
where:
Base-Base interactions energy: -116.173
where: short stacking energy: -58.630
Base-Backbone interact. energy: 1.771
local terms energy: -85.845254
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -194.853517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.853517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.853517 (E_RNA)
where:
Base-Base interactions energy: -120.145
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.004
local terms energy: -74.704496
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -188.745577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.745577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.745577 (E_RNA)
where:
Base-Base interactions energy: -119.013
where: short stacking energy: -58.590
Base-Backbone interact. energy: -0.104
local terms energy: -69.629475
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -95.686338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.686338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.686338 (E_RNA)
where:
Base-Base interactions energy: -38.098
where: short stacking energy: -25.571
Base-Backbone interact. energy: 1.236
local terms energy: -58.823824
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -93.615120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.615120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.615120 (E_RNA)
where:
Base-Base interactions energy: -43.668
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.278
local terms energy: -49.669316
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: 1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -263.852119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.852119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.852119 (E_RNA)
where:
Base-Base interactions energy: -188.698
where: short stacking energy: -76.001
Base-Backbone interact. energy: -0.813
local terms energy: -74.340825
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.977
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: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -213.821305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.821305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.821305 (E_RNA)
where:
Base-Base interactions energy: -139.077
where: short stacking energy: -65.021
Base-Backbone interact. energy: -0.547
local terms energy: -74.197170
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -13.092
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -215.209720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.209720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.209720 (E_RNA)
where:
Base-Base interactions energy: -135.725
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.437
local terms energy: -79.048640
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -199.042390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.042390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.042390 (E_RNA)
where:
Base-Base interactions energy: -122.812
where: short stacking energy: -52.418
Base-Backbone interact. energy: -1.203
local terms energy: -75.027646
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -187.739027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.739027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.739027 (E_RNA)
where:
Base-Base interactions energy: -115.552
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.105
local terms energy: -72.082030
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -11.791
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: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -196.398768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.398768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.398768 (E_RNA)
where:
Base-Base interactions energy: -127.105
where: short stacking energy: -58.643
Base-Backbone interact. energy: -0.029
local terms energy: -69.264896
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -14.860
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: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -188.564880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.564880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.564880 (E_RNA)
where:
Base-Base interactions energy: -120.526
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.099
local terms energy: -67.939268
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -175.904720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.904720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.904720 (E_RNA)
where:
Base-Base interactions energy: -107.083
where: short stacking energy: -45.773
Base-Backbone interact. energy: -0.815
local terms energy: -68.006457
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -90.519249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.519249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.519249 (E_RNA)
where:
Base-Base interactions energy: -41.265
where: short stacking energy: -40.840
Base-Backbone interact. energy: -0.132
local terms energy: -49.121860
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -0.025
tors. eta vs tors. theta energy: -6.459
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: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -81.997183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.997183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.997183 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -30.588
Base-Backbone interact. energy: -0.663
local terms energy: -50.747046
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -271.679983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.679983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.679983 (E_RNA)
where:
Base-Base interactions energy: -189.494
where: short stacking energy: -77.190
Base-Backbone interact. energy: 1.219
local terms energy: -83.404984
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -222.291613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.291613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.291613 (E_RNA)
where:
Base-Base interactions energy: -133.454
where: short stacking energy: -62.739
Base-Backbone interact. energy: -1.403
local terms energy: -87.434979
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -206.040949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.040949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.040949 (E_RNA)
where:
Base-Base interactions energy: -123.770
where: short stacking energy: -57.717
Base-Backbone interact. energy: -0.470
local terms energy: -81.800685
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -13.452
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: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -190.963538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.963538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.963538 (E_RNA)
where:
Base-Base interactions energy: -121.779
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.564
local terms energy: -68.620367
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -194.931482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.931482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.931482 (E_RNA)
where:
Base-Base interactions energy: -126.148
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.904
local terms energy: -67.879487
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -10.828
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: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -198.446349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.446349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.446349 (E_RNA)
where:
Base-Base interactions energy: -120.545
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.080
local terms energy: -77.821186
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -191.468699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.468699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.468699 (E_RNA)
where:
Base-Base interactions energy: -120.094
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.458
local terms energy: -70.917223
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -13.452
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: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -176.800037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.800037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.800037 (E_RNA)
where:
Base-Base interactions energy: -101.166
where: short stacking energy: -52.192
Base-Backbone interact. energy: -0.036
local terms energy: -75.598306
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -98.730825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.730825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.730825 (E_RNA)
where:
Base-Base interactions energy: -33.395
where: short stacking energy: -31.384
Base-Backbone interact. energy: -0.164
local terms energy: -65.171404
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -10.975
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: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -104.758833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.758833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.758833 (E_RNA)
where:
Base-Base interactions energy: -57.140
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.561
local terms energy: -47.057779
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: 4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -265.578880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.578880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.578880 (E_RNA)
where:
Base-Base interactions energy: -183.883
where: short stacking energy: -72.916
Base-Backbone interact. energy: 1.273
local terms energy: -82.968811
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -229.176252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.176252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.176252 (E_RNA)
where:
Base-Base interactions energy: -142.580
where: short stacking energy: -74.279
Base-Backbone interact. energy: -0.011
local terms energy: -86.585248
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -22.358
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: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -206.029398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.029398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.029398 (E_RNA)
where:
Base-Base interactions energy: -129.086
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.143
local terms energy: -76.800534
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.683
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: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -212.147657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.147657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.147657 (E_RNA)
where:
Base-Base interactions energy: -132.903
where: short stacking energy: -70.112
Base-Backbone interact. energy: -0.001
local terms energy: -79.244335
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -9.780
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: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -200.422447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.422447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.422447 (E_RNA)
where:
Base-Base interactions energy: -122.915
where: short stacking energy: -49.786
Base-Backbone interact. energy: -0.730
local terms energy: -76.777419
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -184.474342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.474342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.474342 (E_RNA)
where:
Base-Base interactions energy: -117.712
where: short stacking energy: -58.136
Base-Backbone interact. energy: -0.243
local terms energy: -66.519683
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -10.676
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: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -189.426533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.426533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.426533 (E_RNA)
where:
Base-Base interactions energy: -122.690
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.147
local terms energy: -66.589950
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -173.698558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.698558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.698558 (E_RNA)
where:
Base-Base interactions energy: -108.793
where: short stacking energy: -49.536
Base-Backbone interact. energy: -0.069
local terms energy: -64.836815
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -86.556363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.556363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.556363 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -26.466
Base-Backbone interact. energy: -1.008
local terms energy: -54.993345
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -1.360
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: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -90.597717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.597717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.597717 (E_RNA)
where:
Base-Base interactions energy: -27.865
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.004
local terms energy: -62.729409
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -4.386
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: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -262.992216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.992216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.992216 (E_RNA)
where:
Base-Base interactions energy: -180.935
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.423
local terms energy: -81.633929
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -233.949667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.949667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.949667 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -75.284
Base-Backbone interact. energy: -0.675
local terms energy: -81.450459
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -219.045483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.045483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.045483 (E_RNA)
where:
Base-Base interactions energy: -132.861
where: short stacking energy: -64.489
Base-Backbone interact. energy: -0.087
local terms energy: -86.097056
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -199.873335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.873335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.873335 (E_RNA)
where:
Base-Base interactions energy: -124.691
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.817
local terms energy: -74.364599
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -195.033229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.033229 (E_RNA)
where:
Base-Base interactions energy: -117.226
where: short stacking energy: -54.943
Base-Backbone interact. energy: 0.654
local terms energy: -78.461415
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -193.629942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.629942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.629942 (E_RNA)
where:
Base-Base interactions energy: -119.927
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.116
local terms energy: -73.586608
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -14.999
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: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -184.768394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.768394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.768394 (E_RNA)
where:
Base-Base interactions energy: -111.725
where: short stacking energy: -50.694
Base-Backbone interact. energy: -0.121
local terms energy: -72.922059
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -195.642064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.642064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.642064 (E_RNA)
where:
Base-Base interactions energy: -119.522
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.088
local terms energy: -76.031659
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -15.889
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: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.323497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.323497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.323497 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.609
local terms energy: -51.732348
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -78.641278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.641278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.641278 (E_RNA)
where:
Base-Base interactions energy: -25.159
where: short stacking energy: -22.845
Base-Backbone interact. energy: -0.002
local terms energy: -53.480837
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: 2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -265.226156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.226156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.226156 (E_RNA)
where:
Base-Base interactions energy: -186.361
where: short stacking energy: -71.394
Base-Backbone interact. energy: 1.181
local terms energy: -80.045810
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -20.037
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: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -222.496267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.496267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.496267 (E_RNA)
where:
Base-Base interactions energy: -134.619
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.894
local terms energy: -86.982438
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -11.990
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: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -214.184845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.184845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.184845 (E_RNA)
where:
Base-Base interactions energy: -135.669
where: short stacking energy: -68.529
Base-Backbone interact. energy: -1.243
local terms energy: -77.272960
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -204.996219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.996219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.996219 (E_RNA)
where:
Base-Base interactions energy: -125.316
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.048
local terms energy: -79.632675
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -17.489
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: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -205.037807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.037807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.037807 (E_RNA)
where:
Base-Base interactions energy: -128.601
where: short stacking energy: -65.813
Base-Backbone interact. energy: -1.179
local terms energy: -75.258026
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -14.710
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: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -187.154715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.154715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.154715 (E_RNA)
where:
Base-Base interactions energy: -112.787
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.015
local terms energy: -74.353138
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -9.038
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: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -188.867105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.867105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.867105 (E_RNA)
where:
Base-Base interactions energy: -117.941
where: short stacking energy: -52.232
Base-Backbone interact. energy: -0.490
local terms energy: -70.435921
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -11.258
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -130.791115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.791115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.791115 (E_RNA)
where:
Base-Base interactions energy: -76.744
where: short stacking energy: -36.525
Base-Backbone interact. energy: -0.101
local terms energy: -53.945802
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -163.281484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.281484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.281484 (E_RNA)
where:
Base-Base interactions energy: -104.079
where: short stacking energy: -49.365
Base-Backbone interact. energy: -0.194
local terms energy: -59.008233
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -4.233
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: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -94.570588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.570588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.570588 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -23.916
Base-Backbone interact. energy: -0.043
local terms energy: -62.582428
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -265.671474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.671474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.671474 (E_RNA)
where:
Base-Base interactions energy: -181.032
where: short stacking energy: -72.657
Base-Backbone interact. energy: -0.560
local terms energy: -84.079164
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -219.480363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.480363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.480363 (E_RNA)
where:
Base-Base interactions energy: -129.111
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.239
local terms energy: -90.130424
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -225.666672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.666672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.666672 (E_RNA)
where:
Base-Base interactions energy: -140.470
where: short stacking energy: -79.484
Base-Backbone interact. energy: -0.771
local terms energy: -84.425584
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -21.946
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: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -209.261625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.261625 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.029
local terms energy: -79.975760
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -8.534
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: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -193.231790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.231790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.231790 (E_RNA)
where:
Base-Base interactions energy: -122.104
where: short stacking energy: -56.413
Base-Backbone interact. energy: -1.059
local terms energy: -70.068824
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -191.584601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.584601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.584601 (E_RNA)
where:
Base-Base interactions energy: -123.321
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.052
local terms energy: -68.211906
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -191.776150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.776150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.776150 (E_RNA)
where:
Base-Base interactions energy: -124.186
where: short stacking energy: -65.332
Base-Backbone interact. energy: -0.545
local terms energy: -67.045237
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -102.286060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.286060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.286060 (E_RNA)
where:
Base-Base interactions energy: -51.775
where: short stacking energy: -24.199
Base-Backbone interact. energy: -0.927
local terms energy: -49.583715
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -3.432
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: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -157.778182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.778182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.778182 (E_RNA)
where:
Base-Base interactions energy: -89.305
where: short stacking energy: -49.871
Base-Backbone interact. energy: -0.211
local terms energy: -68.262434
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -12.552
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: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -91.383254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.383254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.383254 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -22.032
Base-Backbone interact. energy: -0.024
local terms energy: -54.697364
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -278.472210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.472210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.472210 (E_RNA)
where:
Base-Base interactions energy: -191.258
where: short stacking energy: -77.546
Base-Backbone interact. energy: -0.427
local terms energy: -86.786986
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -21.044
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: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -234.399881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.399881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.399881 (E_RNA)
where:
Base-Base interactions energy: -154.065
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.144
local terms energy: -80.190222
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -15.650
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: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -213.637000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.637000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.637000 (E_RNA)
where:
Base-Base interactions energy: -136.791
where: short stacking energy: -63.620
Base-Backbone interact. energy: 0.142
local terms energy: -76.988677
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -17.077
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: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -199.498713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.498713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.498713 (E_RNA)
where:
Base-Base interactions energy: -116.855
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.175
local terms energy: -82.468348
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -209.578439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.578439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.578439 (E_RNA)
where:
Base-Base interactions energy: -124.344
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.007
local terms energy: -85.227370
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -189.835694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.835694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.835694 (E_RNA)
where:
Base-Base interactions energy: -114.654
where: short stacking energy: -53.578
Base-Backbone interact. energy: -0.016
local terms energy: -75.166631
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -187.411725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.411725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.411725 (E_RNA)
where:
Base-Base interactions energy: -113.060
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.003
local terms energy: -74.348648
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -173.217371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.217371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.217371 (E_RNA)
where:
Base-Base interactions energy: -101.183
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.269
local terms energy: -71.765097
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -106.497544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.497544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.497544 (E_RNA)
where:
Base-Base interactions energy: -56.456
where: short stacking energy: -34.544
Base-Backbone interact. energy: 1.621
local terms energy: -51.662979
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -98.157529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.157529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.157529 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.277
local terms energy: -60.271619
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.722
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: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -270.317653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.317653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.317653 (E_RNA)
where:
Base-Base interactions energy: -179.841
where: short stacking energy: -69.464
Base-Backbone interact. energy: 0.725
local terms energy: -91.202409
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -22.454
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: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -234.350650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.350650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.350650 (E_RNA)
where:
Base-Base interactions energy: -144.816
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.213
local terms energy: -89.321668
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -221.088046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.088046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.088046 (E_RNA)
where:
Base-Base interactions energy: -142.390
where: short stacking energy: -68.048
Base-Backbone interact. energy: -0.006
local terms energy: -78.691734
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -19.460
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: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -205.706294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.706294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.706294 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -62.010
Base-Backbone interact. energy: -0.136
local terms energy: -83.883457
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -207.124641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.124641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.124641 (E_RNA)
where:
Base-Base interactions energy: -134.517
where: short stacking energy: -60.847
Base-Backbone interact. energy: -1.606
local terms energy: -71.001812
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.206
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: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -187.643902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.643902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.643902 (E_RNA)
where:
Base-Base interactions energy: -117.293
where: short stacking energy: -57.155
Base-Backbone interact. energy: -1.292
local terms energy: -69.057968
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -14.904
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: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -191.274840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.274840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.274840 (E_RNA)
where:
Base-Base interactions energy: -124.425
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.205
local terms energy: -66.644337
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -12.751
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: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -175.480509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.480509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.480509 (E_RNA)
where:
Base-Base interactions energy: -98.834
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.226
local terms energy: -76.420858
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.445
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: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -88.122526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.122526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.122526 (E_RNA)
where:
Base-Base interactions energy: -29.124
where: short stacking energy: -29.124
Base-Backbone interact. energy: -0.124
local terms energy: -58.873726
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -82.703026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.703026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.703026 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -21.094
Base-Backbone interact. energy: -0.016
local terms energy: -54.355778
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -5.884
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: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -261.250270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.250270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.250270 (E_RNA)
where:
Base-Base interactions energy: -181.031
where: short stacking energy: -67.218
Base-Backbone interact. energy: 0.153
local terms energy: -80.372498
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -19.619
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: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -232.644569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.644569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.644569 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -78.306
Base-Backbone interact. energy: -0.503
local terms energy: -88.516295
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -21.308
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: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -212.335494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.335494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.335494 (E_RNA)
where:
Base-Base interactions energy: -127.272
where: short stacking energy: -66.306
Base-Backbone interact. energy: -1.581
local terms energy: -83.482120
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -13.246
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: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -193.263148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.263148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.263148 (E_RNA)
where:
Base-Base interactions energy: -121.306
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.214
local terms energy: -71.742307
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -14.405
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: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -205.087466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.087466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.087466 (E_RNA)
where:
Base-Base interactions energy: -131.969
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.101
local terms energy: -73.017380
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.530
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: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -181.557969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.557969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.557969 (E_RNA)
where:
Base-Base interactions energy: -112.325
where: short stacking energy: -46.752
Base-Backbone interact. energy: -1.253
local terms energy: -67.979470
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -192.443525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.443525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.443525 (E_RNA)
where:
Base-Base interactions energy: -126.187
where: short stacking energy: -63.343
Base-Backbone interact. energy: 0.446
local terms energy: -66.702922
where:
bonds (distance) C4'-P energy: -7.538
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -11.466
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: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -170.040933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.040933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.040933 (E_RNA)
where:
Base-Base interactions energy: -104.427
where: short stacking energy: -55.892
Base-Backbone interact. energy: -0.137
local terms energy: -65.477432
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: -13.788
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: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -90.949261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.949261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.949261 (E_RNA)
where:
Base-Base interactions energy: -41.296
where: short stacking energy: -27.921
Base-Backbone interact. energy: -0.526
local terms energy: -49.127195
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -2.740
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: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -78.590078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.590078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.590078 (E_RNA)
where:
Base-Base interactions energy: -23.205
where: short stacking energy: -20.249
Base-Backbone interact. energy: -0.088
local terms energy: -55.297020
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: 2.369
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: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -268.305157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.305157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.305157 (E_RNA)
where:
Base-Base interactions energy: -179.077
where: short stacking energy: -68.934
Base-Backbone interact. energy: -0.835
local terms energy: -88.392827
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -19.450
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: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -245.394107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.394107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.394107 (E_RNA)
where:
Base-Base interactions energy: -156.372
where: short stacking energy: -87.858
Base-Backbone interact. energy: -0.001
local terms energy: -89.021357
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -211.625084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.625084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.625084 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.030
local terms energy: -86.371408
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -17.925
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -207.454080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.454080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.454080 (E_RNA)
where:
Base-Base interactions energy: -123.451
where: short stacking energy: -54.967
Base-Backbone interact. energy: -0.099
local terms energy: -83.904339
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -14.233
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: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -216.037207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.037207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.037207 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.061
local terms energy: -83.165450
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -17.878
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: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -187.086383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.086383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.086383 (E_RNA)
where:
Base-Base interactions energy: -115.354
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.371
local terms energy: -71.361207
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -193.954630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.954630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.954630 (E_RNA)
where:
Base-Base interactions energy: -129.531
where: short stacking energy: -56.778
Base-Backbone interact. energy: 1.608
local terms energy: -66.031409
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -0.824
tors. eta vs tors. theta energy: -12.239
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: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -155.667008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.667008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.667008 (E_RNA)
where:
Base-Base interactions energy: -90.625
where: short stacking energy: -44.930
Base-Backbone interact. energy: -0.188
local terms energy: -64.854044
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -84.581632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.581632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.581632 (E_RNA)
where:
Base-Base interactions energy: -30.315
where: short stacking energy: -30.159
Base-Backbone interact. energy: 0.099
local terms energy: -54.365801
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.621
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: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -93.786339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.786339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.786339 (E_RNA)
where:
Base-Base interactions energy: -33.741
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.015
local terms energy: -60.030559
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -14.706
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: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -279.932168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.932168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.932168 (E_RNA)
where:
Base-Base interactions energy: -197.275
where: short stacking energy: -73.330
Base-Backbone interact. energy: -0.870
local terms energy: -81.787192
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -233.628744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.628744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.628744 (E_RNA)
where:
Base-Base interactions energy: -144.701
where: short stacking energy: -81.536
Base-Backbone interact. energy: -0.020
local terms energy: -88.907359
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -223.513309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.513309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.513309 (E_RNA)
where:
Base-Base interactions energy: -130.912
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.315
local terms energy: -92.285701
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -198.828458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.828458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.828458 (E_RNA)
where:
Base-Base interactions energy: -122.156
where: short stacking energy: -49.661
Base-Backbone interact. energy: -1.198
local terms energy: -75.474753
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -12.391
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: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -209.429235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.429235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.429235 (E_RNA)
where:
Base-Base interactions energy: -135.198
where: short stacking energy: -67.856
Base-Backbone interact. energy: 0.265
local terms energy: -74.496697
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -203.794911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.794911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.794911 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.260
local terms energy: -81.048129
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -17.807
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: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -176.233136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.233136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.233136 (E_RNA)
where:
Base-Base interactions energy: -107.854
where: short stacking energy: -48.841
Base-Backbone interact. energy: -0.329
local terms energy: -68.049998
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.126
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: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -99.686763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.686763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.686763 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -25.712
Base-Backbone interact. energy: -0.886
local terms energy: -65.054744
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -163.757984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.757984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.757984 (E_RNA)
where:
Base-Base interactions energy: -102.410
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.233
local terms energy: -61.114643
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -91.162202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.162202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.162202 (E_RNA)
where:
Base-Base interactions energy: -43.734
where: short stacking energy: -12.738
Base-Backbone interact. energy: 0.473
local terms energy: -47.900632
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: 4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -224.704179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.704179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.704179 (E_RNA)
where:
Base-Base interactions energy: -135.812
where: short stacking energy: -70.928
Base-Backbone interact. energy: -0.480
local terms energy: -88.412444
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -18.084
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: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -271.134286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.134286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.134286 (E_RNA)
where:
Base-Base interactions energy: -190.210
where: short stacking energy: -72.760
Base-Backbone interact. energy: 1.906
local terms energy: -82.829918
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -220.771649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.771649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.771649 (E_RNA)
where:
Base-Base interactions energy: -144.250
where: short stacking energy: -72.339
Base-Backbone interact. energy: 0.006
local terms energy: -76.526756
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -202.327995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.327995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.327995 (E_RNA)
where:
Base-Base interactions energy: -127.707
where: short stacking energy: -61.458
Base-Backbone interact. energy: -0.236
local terms energy: -74.384679
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -16.103
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: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -196.597353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.597353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.597353 (E_RNA)
where:
Base-Base interactions energy: -123.158
where: short stacking energy: -53.391
Base-Backbone interact. energy: -0.417
local terms energy: -73.022619
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -13.629
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: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -205.940330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.940330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.940330 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -56.445
Base-Backbone interact. energy: -0.583
local terms energy: -82.002092
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -189.413536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.413536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.413536 (E_RNA)
where:
Base-Base interactions energy: -116.854
where: short stacking energy: -57.160
Base-Backbone interact. energy: -0.053
local terms energy: -72.507330
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -91.691970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.691970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.691970 (E_RNA)
where:
Base-Base interactions energy: -29.911
where: short stacking energy: -29.690
Base-Backbone interact. energy: 0.343
local terms energy: -62.123444
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -161.067969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.067969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.067969 (E_RNA)
where:
Base-Base interactions energy: -99.309
where: short stacking energy: -48.293
Base-Backbone interact. energy: -1.454
local terms energy: -60.304646
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -9.591
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: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -84.919555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.919555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.919555 (E_RNA)
where:
Base-Base interactions energy: -26.711
where: short stacking energy: -26.504
Base-Backbone interact. energy: 0.804
local terms energy: -59.013047
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -227.889207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.889207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.889207 (E_RNA)
where:
Base-Base interactions energy: -139.380
where: short stacking energy: -75.555
Base-Backbone interact. energy: -0.616
local terms energy: -87.893504
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.684
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: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -265.740238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.740238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.740238 (E_RNA)
where:
Base-Base interactions energy: -183.444
where: short stacking energy: -63.127
Base-Backbone interact. energy: 2.642
local terms energy: -84.938448
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -214.649037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.649037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.649037 (E_RNA)
where:
Base-Base interactions energy: -133.112
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.338
local terms energy: -81.199287
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -211.255808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.255808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.255808 (E_RNA)
where:
Base-Base interactions energy: -135.258
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.737
local terms energy: -75.260247
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -200.400504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.400504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.400504 (E_RNA)
where:
Base-Base interactions energy: -115.437
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.856
local terms energy: -84.106899
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -11.769
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -201.036143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.036143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.036143 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.105
local terms energy: -76.079877
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -184.219177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.219177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.219177 (E_RNA)
where:
Base-Base interactions energy: -109.065
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.915
local terms energy: -74.238331
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.533
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: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -169.244496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.244496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.244496 (E_RNA)
where:
Base-Base interactions energy: -110.074
where: short stacking energy: -42.838
Base-Backbone interact. energy: -0.309
local terms energy: -58.861383
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.287
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: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -93.911091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.911091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.911091 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -38.296
Base-Backbone interact. energy: -0.213
local terms energy: -54.286269
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.055
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: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -103.787337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.787337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.787337 (E_RNA)
where:
Base-Base interactions energy: -53.760
where: short stacking energy: -43.630
Base-Backbone interact. energy: -0.732
local terms energy: -49.295569
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -4.848
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -268.945082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.945082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.945082 (E_RNA)
where:
Base-Base interactions energy: -187.976
where: short stacking energy: -74.200
Base-Backbone interact. energy: 0.867
local terms energy: -81.835995
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -227.807757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.807757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.807757 (E_RNA)
where:
Base-Base interactions energy: -147.613
where: short stacking energy: -79.950
Base-Backbone interact. energy: 1.065
local terms energy: -81.260235
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -210.718904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.718904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718904 (E_RNA)
where:
Base-Base interactions energy: -128.990
where: short stacking energy: -69.141
Base-Backbone interact. energy: -0.877
local terms energy: -80.851816
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -211.286382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.286382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.286382 (E_RNA)
where:
Base-Base interactions energy: -130.658
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.005
local terms energy: -80.623954
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -195.957650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.957650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.957650 (E_RNA)
where:
Base-Base interactions energy: -120.915
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.246
local terms energy: -74.796271
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -195.203163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.203163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.203163 (E_RNA)
where:
Base-Base interactions energy: -126.860
where: short stacking energy: -62.246
Base-Backbone interact. energy: 0.132
local terms energy: -68.475483
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -189.696528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.696528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.696528 (E_RNA)
where:
Base-Base interactions energy: -115.505
where: short stacking energy: -60.163
Base-Backbone interact. energy: -1.141
local terms energy: -73.050238
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -177.698091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.698091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.698091 (E_RNA)
where:
Base-Base interactions energy: -114.641
where: short stacking energy: -50.169
Base-Backbone interact. energy: -0.143
local terms energy: -62.914179
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -90.856126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.856126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.856126 (E_RNA)
where:
Base-Base interactions energy: -25.186
where: short stacking energy: -20.362
Base-Backbone interact. energy: -0.369
local terms energy: -65.301370
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.873
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: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -82.327158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.327158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.327158 (E_RNA)
where:
Base-Base interactions energy: -25.613
where: short stacking energy: -23.708
Base-Backbone interact. energy: -0.326
local terms energy: -56.387504
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -275.320312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.320312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.320312 (E_RNA)
where:
Base-Base interactions energy: -182.913
where: short stacking energy: -68.795
Base-Backbone interact. energy: -1.053
local terms energy: -91.353532
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -20.482
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: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -215.351888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.351888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351888 (E_RNA)
where:
Base-Base interactions energy: -133.488
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.104
local terms energy: -81.759741
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -16.262
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: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -224.646496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.646496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.646496 (E_RNA)
where:
Base-Base interactions energy: -142.648
where: short stacking energy: -74.032
Base-Backbone interact. energy: -0.011
local terms energy: -81.987904
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -19.544
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: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -203.605794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.605794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.605794 (E_RNA)
where:
Base-Base interactions energy: -120.902
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.670
local terms energy: -82.033729
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -15.863
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: 213
Temperature: 1.100000
Total energy: -209.476210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.476210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.476210 (E_RNA)
where:
Base-Base interactions energy: -132.603
where: short stacking energy: -67.946
Base-Backbone interact. energy: 0.030
local terms energy: -76.903341
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -18.558
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: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -171.303866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.303866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.303866 (E_RNA)
where:
Base-Base interactions energy: -94.650
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.706
local terms energy: -75.947864
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -195.425824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.425824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.425824 (E_RNA)
where:
Base-Base interactions energy: -128.734
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.045
local terms energy: -66.646992
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -153.926640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.926640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.926640 (E_RNA)
where:
Base-Base interactions energy: -89.189
where: short stacking energy: -47.766
Base-Backbone interact. energy: -0.110
local terms energy: -64.627842
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -10.313
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: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -91.450218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.450218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.450218 (E_RNA)
where:
Base-Base interactions energy: -36.564
where: short stacking energy: -36.564
Base-Backbone interact. energy: -0.204
local terms energy: -54.682012
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -6.179
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: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -75.680770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.680770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.680770 (E_RNA)
where:
Base-Base interactions energy: -27.042
where: short stacking energy: -24.051
Base-Backbone interact. energy: -0.139
local terms energy: -48.500134
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: 1.739
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: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -267.921985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.921985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.921985 (E_RNA)
where:
Base-Base interactions energy: -186.374
where: short stacking energy: -78.272
Base-Backbone interact. energy: -0.641
local terms energy: -80.906367
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -224.847849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.847849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.847849 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -84.913
Base-Backbone interact. energy: -0.012
local terms energy: -79.046325
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -17.622
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -220.934676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.934676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.934676 (E_RNA)
where:
Base-Base interactions energy: -135.285
where: short stacking energy: -72.165
Base-Backbone interact. energy: -0.009
local terms energy: -85.639858
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -215.812671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.812671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.812671 (E_RNA)
where:
Base-Base interactions energy: -142.362
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.173
local terms energy: -73.277879
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -210.895928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.895928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.895928 (E_RNA)
where:
Base-Base interactions energy: -135.303
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.610
local terms energy: -74.982762
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -191.820843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.820843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.820843 (E_RNA)
where:
Base-Base interactions energy: -115.874
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.219
local terms energy: -75.727727
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -185.658857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.658857 (E_RNA)
where:
Base-Base interactions energy: -124.773
where: short stacking energy: -60.629
Base-Backbone interact. energy: -0.101
local terms energy: -60.784885
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -11.169
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: 214
Temperature: 1.250000
Total energy: -197.809299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.809299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.809299 (E_RNA)
where:
Base-Base interactions energy: -126.241
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.190
local terms energy: -71.377587
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -93.851668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.851668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.851668 (E_RNA)
where:
Base-Base interactions energy: -39.849
where: short stacking energy: -36.023
Base-Backbone interact. energy: -1.653
local terms energy: -52.350155
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.061
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: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -87.308470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.308470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.308470 (E_RNA)
where:
Base-Base interactions energy: -33.523
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.090
local terms energy: -53.696125
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -265.727205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.727205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.727205 (E_RNA)
where:
Base-Base interactions energy: -186.452
where: short stacking energy: -71.491
Base-Backbone interact. energy: -1.387
local terms energy: -77.887457
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -220.713237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.713237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.713237 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -63.747
Base-Backbone interact. energy: -0.056
local terms energy: -79.527680
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -228.436836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.436836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.436836 (E_RNA)
where:
Base-Base interactions energy: -146.935
where: short stacking energy: -70.864
Base-Backbone interact. energy: -0.032
local terms energy: -81.470267
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -207.170311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.170311 (E_RNA)
where:
Base-Base interactions energy: -136.903
where: short stacking energy: -58.909
Base-Backbone interact. energy: -0.003
local terms energy: -70.264357
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.360
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: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -198.905595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.905595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.905595 (E_RNA)
where:
Base-Base interactions energy: -118.015
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.310
local terms energy: -80.580478
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -191.307548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.307548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.307548 (E_RNA)
where:
Base-Base interactions energy: -115.785
where: short stacking energy: -48.655
Base-Backbone interact. energy: -0.779
local terms energy: -74.744437
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -9.791
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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -181.460525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.460525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.460525 (E_RNA)
where:
Base-Base interactions energy: -107.697
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.242
local terms energy: -73.521802
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -14.411
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: 215
Temperature: 1.250000
Total energy: -186.215174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.215174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.215174 (E_RNA)
where:
Base-Base interactions energy: -114.416
where: short stacking energy: -54.170
Base-Backbone interact. energy: -0.193
local terms energy: -71.606026
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -15.495
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: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -91.351825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.351825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.351825 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -24.837
Base-Backbone interact. energy: -1.101
local terms energy: -56.881981
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.750
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: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -85.566550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566550 (E_RNA)
where:
Base-Base interactions energy: -22.880
where: short stacking energy: -21.560
Base-Backbone interact. energy: -0.227
local terms energy: -62.460036
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -11.140
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: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -269.743562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.743562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.743562 (E_RNA)
where:
Base-Base interactions energy: -192.054
where: short stacking energy: -78.488
Base-Backbone interact. energy: 1.379
local terms energy: -79.068967
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -222.836508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.836508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.836508 (E_RNA)
where:
Base-Base interactions energy: -136.830
where: short stacking energy: -74.675
Base-Backbone interact. energy: -0.251
local terms energy: -85.756032
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -15.753
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: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -217.252664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.252664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.252664 (E_RNA)
where:
Base-Base interactions energy: -133.376
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.038
local terms energy: -83.839044
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -209.772179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.772179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.772179 (E_RNA)
where:
Base-Base interactions energy: -125.836
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.447
local terms energy: -83.489613
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -20.155
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: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -205.830930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.830930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.830930 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -60.887
Base-Backbone interact. energy: 0.696
local terms energy: -74.096189
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -12.189
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: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -197.379859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.379859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.379859 (E_RNA)
where:
Base-Base interactions energy: -116.180
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.383
local terms energy: -80.817281
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -193.249334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.249334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.249334 (E_RNA)
where:
Base-Base interactions energy: -131.229
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.173
local terms energy: -61.847089
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -175.531164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.531164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.531164 (E_RNA)
where:
Base-Base interactions energy: -101.164
where: short stacking energy: -50.945
Base-Backbone interact. energy: 0.498
local terms energy: -74.864514
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -102.037563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.037563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.037563 (E_RNA)
where:
Base-Base interactions energy: -39.607
where: short stacking energy: -38.066
Base-Backbone interact. energy: 0.706
local terms energy: -63.135788
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -9.367
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -87.857077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.857077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.857077 (E_RNA)
where:
Base-Base interactions energy: -36.463
where: short stacking energy: -27.202
Base-Backbone interact. energy: -0.085
local terms energy: -51.309036
where:
bonds (distance) C4'-P energy: -4.529
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -265.866193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.866193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.866193 (E_RNA)
where:
Base-Base interactions energy: -184.015
where: short stacking energy: -76.124
Base-Backbone interact. energy: -1.196
local terms energy: -80.654912
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -201.463354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.463354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.463354 (E_RNA)
where:
Base-Base interactions energy: -129.276
where: short stacking energy: -66.631
Base-Backbone interact. energy: -0.226
local terms energy: -71.961861
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -219.279787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.279787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.279787 (E_RNA)
where:
Base-Base interactions energy: -136.644
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.116
local terms energy: -82.519384
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -204.345806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.345806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.345806 (E_RNA)
where:
Base-Base interactions energy: -136.545
where: short stacking energy: -62.950
Base-Backbone interact. energy: -0.307
local terms energy: -67.493719
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -192.672547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.672547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.672547 (E_RNA)
where:
Base-Base interactions energy: -119.275
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.146
local terms energy: -73.252381
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -190.482441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.482441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.482441 (E_RNA)
where:
Base-Base interactions energy: -116.326
where: short stacking energy: -54.029
Base-Backbone interact. energy: 0.168
local terms energy: -74.324340
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -13.858
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: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -188.868755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.868755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.868755 (E_RNA)
where:
Base-Base interactions energy: -112.082
where: short stacking energy: -52.572
Base-Backbone interact. energy: 1.979
local terms energy: -78.766210
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -96.783922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.783922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.783922 (E_RNA)
where:
Base-Base interactions energy: -32.019
where: short stacking energy: -29.621
Base-Backbone interact. energy: -1.829
local terms energy: -62.935962
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -6.774
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: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -188.358534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.358534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.358534 (E_RNA)
where:
Base-Base interactions energy: -117.184
where: short stacking energy: -56.099
Base-Backbone interact. energy: -0.952
local terms energy: -70.222315
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -93.418566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.418566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.418566 (E_RNA)
where:
Base-Base interactions energy: -38.605
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.110
local terms energy: -54.703324
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -7.214
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -5.650
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: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -215.301236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.301236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.301236 (E_RNA)
where:
Base-Base interactions energy: -143.213
where: short stacking energy: -71.799
Base-Backbone interact. energy: 0.813
local terms energy: -72.901650
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -268.584927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.584927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.584927 (E_RNA)
where:
Base-Base interactions energy: -185.667
where: short stacking energy: -69.767
Base-Backbone interact. energy: -0.825
local terms energy: -82.093351
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -212.959483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.959483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.959483 (E_RNA)
where:
Base-Base interactions energy: -132.814
where: short stacking energy: -74.418
Base-Backbone interact. energy: -0.044
local terms energy: -80.101357
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -12.578
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: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -218.704302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.704302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.704302 (E_RNA)
where:
Base-Base interactions energy: -134.497
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.073
local terms energy: -84.134068
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -198.126612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.126612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.126612 (E_RNA)
where:
Base-Base interactions energy: -118.016
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.054
local terms energy: -80.056830
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -192.678006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.678006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.678006 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -56.696
Base-Backbone interact. energy: -0.105
local terms energy: -70.125178
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.723
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: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -190.931958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.931958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.931958 (E_RNA)
where:
Base-Base interactions energy: -118.676
where: short stacking energy: -56.647
Base-Backbone interact. energy: -1.455
local terms energy: -70.800707
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -12.497
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: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -107.491763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.491763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.491763 (E_RNA)
where:
Base-Base interactions energy: -43.668
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.062
local terms energy: -63.761298
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -158.035368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.035368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.035368 (E_RNA)
where:
Base-Base interactions energy: -82.582
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.420
local terms energy: -75.033201
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -84.848719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.848719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.848719 (E_RNA)
where:
Base-Base interactions energy: -30.245
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.327
local terms energy: -54.276062
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -0.239
tors. eta vs tors. theta energy: -7.613
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: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -231.647231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.647231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.647231 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -80.477
Base-Backbone interact. energy: -0.166
local terms energy: -84.827343
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -10.797
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: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -221.602601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.602601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.602601 (E_RNA)
where:
Base-Base interactions energy: -147.529
where: short stacking energy: -65.020
Base-Backbone interact. energy: -0.139
local terms energy: -73.935009
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -13.108
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: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -254.355122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.355122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.355122 (E_RNA)
where:
Base-Base interactions energy: -181.307
where: short stacking energy: -69.403
Base-Backbone interact. energy: 0.832
local terms energy: -73.880626
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -17.080
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -207.292873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.292873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.292873 (E_RNA)
where:
Base-Base interactions energy: -136.352
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.095
local terms energy: -70.845598
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -16.032
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: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -196.284207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.284207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.284207 (E_RNA)
where:
Base-Base interactions energy: -124.455
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.292
local terms energy: -71.536968
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -205.210373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.210373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.210373 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -64.266
Base-Backbone interact. energy: 0.335
local terms energy: -78.956906
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -13.331
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: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -184.672782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.672782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.672782 (E_RNA)
where:
Base-Base interactions energy: -107.362
where: short stacking energy: -50.109
Base-Backbone interact. energy: -0.002
local terms energy: -77.308840
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -168.809657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.809657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.809657 (E_RNA)
where:
Base-Base interactions energy: -104.679
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.231
local terms energy: -63.899190
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -7.396
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: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -85.865194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.865194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.865194 (E_RNA)
where:
Base-Base interactions energy: -33.222
where: short stacking energy: -31.772
Base-Backbone interact. energy: -0.924
local terms energy: -51.719782
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -83.669209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669209 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -19.111
Base-Backbone interact. energy: -0.116
local terms energy: -46.138025
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: 1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -227.760525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.760525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.760525 (E_RNA)
where:
Base-Base interactions energy: -153.773
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.113
local terms energy: -73.874252
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -218.977229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.977229 (E_RNA)
where:
Base-Base interactions energy: -138.640
where: short stacking energy: -74.309
Base-Backbone interact. energy: -0.996
local terms energy: -79.341441
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -247.647970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.647970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.647970 (E_RNA)
where:
Base-Base interactions energy: -171.718
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.205
local terms energy: -75.724665
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -19.181
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: 220
Temperature: 1.050000
Total energy: -207.476227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.476227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.476227 (E_RNA)
where:
Base-Base interactions energy: -128.926
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.230
local terms energy: -78.320279
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -215.362784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.362784 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -64.139
Base-Backbone interact. energy: -0.107
local terms energy: -81.601317
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -178.258125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.258125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.258125 (E_RNA)
where:
Base-Base interactions energy: -103.599
where: short stacking energy: -49.264
Base-Backbone interact. energy: -0.782
local terms energy: -73.876188
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -199.190820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.190820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.190820 (E_RNA)
where:
Base-Base interactions energy: -129.747
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.069
local terms energy: -69.375722
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -17.027
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: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -168.835736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.835736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.835736 (E_RNA)
where:
Base-Base interactions energy: -97.097
where: short stacking energy: -51.712
Base-Backbone interact. energy: 0.853
local terms energy: -72.592251
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -90.951197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951197 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -34.613
Base-Backbone interact. energy: 0.241
local terms energy: -56.569143
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.761
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: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -81.899891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899891 (E_RNA)
where:
Base-Base interactions energy: -24.571
where: short stacking energy: -24.077
Base-Backbone interact. energy: -0.025
local terms energy: -57.304035
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -240.577516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.577516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.577516 (E_RNA)
where:
Base-Base interactions energy: -158.359
where: short stacking energy: -68.319
Base-Backbone interact. energy: -0.084
local terms energy: -82.134731
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -258.574899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.574899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.574899 (E_RNA)
where:
Base-Base interactions energy: -177.965
where: short stacking energy: -66.109
Base-Backbone interact. energy: -1.696
local terms energy: -78.914776
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -16.829
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: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -211.924961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.924961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.924961 (E_RNA)
where:
Base-Base interactions energy: -128.921
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.063
local terms energy: -82.940431
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -200.269889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.269889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.269889 (E_RNA)
where:
Base-Base interactions energy: -130.622
where: short stacking energy: -59.164
Base-Backbone interact. energy: 1.365
local terms energy: -71.012796
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.731
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: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -209.824680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.824680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.824680 (E_RNA)
where:
Base-Base interactions energy: -136.732
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.940
local terms energy: -72.152971
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -9.048
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: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -206.768135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.768135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.768135 (E_RNA)
where:
Base-Base interactions energy: -120.389
where: short stacking energy: -57.606
Base-Backbone interact. energy: -0.010
local terms energy: -86.368707
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -176.181508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.181508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.181508 (E_RNA)
where:
Base-Base interactions energy: -106.285
where: short stacking energy: -45.856
Base-Backbone interact. energy: 0.331
local terms energy: -70.227734
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -160.937888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.937888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.937888 (E_RNA)
where:
Base-Base interactions energy: -96.691
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.223
local terms energy: -64.024595
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -97.802257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.802257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.802257 (E_RNA)
where:
Base-Base interactions energy: -38.324
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.229
local terms energy: -59.249768
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -81.098541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.098541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.098541 (E_RNA)
where:
Base-Base interactions energy: -25.701
where: short stacking energy: -24.187
Base-Backbone interact. energy: -0.046
local terms energy: -55.352165
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -256.643099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.643099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.643099 (E_RNA)
where:
Base-Base interactions energy: -176.113
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.542
local terms energy: -79.988053
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -16.857
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: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -232.066243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.066243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.066243 (E_RNA)
where:
Base-Base interactions energy: -148.770
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.371
local terms energy: -82.925398
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -209.590737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.590737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.590737 (E_RNA)
where:
Base-Base interactions energy: -121.702
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.136
local terms energy: -87.752577
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -16.704
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -209.329424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.329424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.329424 (E_RNA)
where:
Base-Base interactions energy: -126.864
where: short stacking energy: -59.358
Base-Backbone interact. energy: -0.223
local terms energy: -82.242710
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -7.859
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: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -201.541109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.541109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.541109 (E_RNA)
where:
Base-Base interactions energy: -124.901
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.444
local terms energy: -76.196720
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -21.089
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: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -199.747718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.747718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.747718 (E_RNA)
where:
Base-Base interactions energy: -120.122
where: short stacking energy: -51.959
Base-Backbone interact. energy: 2.021
local terms energy: -81.646940
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -14.338
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: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -176.804820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.804820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.804820 (E_RNA)
where:
Base-Base interactions energy: -109.237
where: short stacking energy: -54.002
Base-Backbone interact. energy: -1.139
local terms energy: -66.428937
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -160.920030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.920030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.920030 (E_RNA)
where:
Base-Base interactions energy: -105.416
where: short stacking energy: -49.896
Base-Backbone interact. energy: -0.422
local terms energy: -55.081491
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -7.505
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: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -92.992550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.992550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.992550 (E_RNA)
where:
Base-Base interactions energy: -51.452
where: short stacking energy: -26.374
Base-Backbone interact. energy: -0.970
local terms energy: -40.569759
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -5.881
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: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -85.449501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.449501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.449501 (E_RNA)
where:
Base-Base interactions energy: -27.712
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.126
local terms energy: -57.611173
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -272.474292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.474292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.474292 (E_RNA)
where:
Base-Base interactions energy: -183.868
where: short stacking energy: -75.869
Base-Backbone interact. energy: -0.778
local terms energy: -87.828382
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -24.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -227.750889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.750889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.750889 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -71.499
Base-Backbone interact. energy: 2.503
local terms energy: -76.584351
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -218.077417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.077417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.077417 (E_RNA)
where:
Base-Base interactions energy: -135.498
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.192
local terms energy: -82.386539
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -15.958
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: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -215.271373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.271373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.271373 (E_RNA)
where:
Base-Base interactions energy: -130.218
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.879
local terms energy: -84.174818
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -195.267420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.267420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.267420 (E_RNA)
where:
Base-Base interactions energy: -126.718
where: short stacking energy: -54.193
Base-Backbone interact. energy: -0.044
local terms energy: -68.505559
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -11.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -169.817191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.817191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.817191 (E_RNA)
where:
Base-Base interactions energy: -113.308
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.509
local terms energy: -56.000074
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -8.539
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: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -190.270190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.270190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.270190 (E_RNA)
where:
Base-Base interactions energy: -112.629
where: short stacking energy: -53.725
Base-Backbone interact. energy: -0.119
local terms energy: -77.522877
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -167.983731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.983731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.983731 (E_RNA)
where:
Base-Base interactions energy: -98.582
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.747
local terms energy: -68.655151
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -94.376260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.376260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.376260 (E_RNA)
where:
Base-Base interactions energy: -45.808
where: short stacking energy: -22.180
Base-Backbone interact. energy: -0.103
local terms energy: -48.464846
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -11.537
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: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -85.693962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.693962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.693962 (E_RNA)
where:
Base-Base interactions energy: -39.546
where: short stacking energy: -27.593
Base-Backbone interact. energy: -0.262
local terms energy: -45.886269
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -257.752386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.752386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.752386 (E_RNA)
where:
Base-Base interactions energy: -171.725
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.479
local terms energy: -85.548605
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -217.876883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.876883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.876883 (E_RNA)
where:
Base-Base interactions energy: -137.243
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.356
local terms energy: -80.277155
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.037
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: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -212.108351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.108351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.108351 (E_RNA)
where:
Base-Base interactions energy: -133.020
where: short stacking energy: -62.819
Base-Backbone interact. energy: 0.242
local terms energy: -79.329952
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -206.751505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.751505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.751505 (E_RNA)
where:
Base-Base interactions energy: -127.296
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.322
local terms energy: -79.132964
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -204.717959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.717959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.717959 (E_RNA)
where:
Base-Base interactions energy: -127.278
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.003
local terms energy: -77.436952
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -174.933657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.933657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.933657 (E_RNA)
where:
Base-Base interactions energy: -101.546
where: short stacking energy: -48.233
Base-Backbone interact. energy: -0.676
local terms energy: -72.711881
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -13.842
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: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -190.649737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.649737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.649737 (E_RNA)
where:
Base-Base interactions energy: -119.267
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.877
local terms energy: -70.504842
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -146.085640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.085640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.085640 (E_RNA)
where:
Base-Base interactions energy: -73.349
where: short stacking energy: -40.440
Base-Backbone interact. energy: -0.331
local terms energy: -72.405407
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -100.431221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431221 (E_RNA)
where:
Base-Base interactions energy: -43.315
where: short stacking energy: -39.848
Base-Backbone interact. energy: 0.958
local terms energy: -58.074240
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -95.852165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.852165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.852165 (E_RNA)
where:
Base-Base interactions energy: -36.741
where: short stacking energy: -36.129
Base-Backbone interact. energy: 3.388
local terms energy: -62.499412
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -6.535
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: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -263.501185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.501185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.501185 (E_RNA)
where:
Base-Base interactions energy: -179.295
where: short stacking energy: -70.949
Base-Backbone interact. energy: 0.327
local terms energy: -84.532936
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -221.508320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.508320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.508320 (E_RNA)
where:
Base-Base interactions energy: -134.684
where: short stacking energy: -77.650
Base-Backbone interact. energy: -1.258
local terms energy: -85.566643
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -217.575674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575674 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.469
local terms energy: -83.863833
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -13.619
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: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -211.534833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534833 (E_RNA)
where:
Base-Base interactions energy: -140.769
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.416
local terms energy: -70.349920
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -209.272193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.272193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.272193 (E_RNA)
where:
Base-Base interactions energy: -129.742
where: short stacking energy: -59.454
Base-Backbone interact. energy: -1.742
local terms energy: -77.788270
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -13.061
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: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -198.737901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.737901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.737901 (E_RNA)
where:
Base-Base interactions energy: -120.560
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.170
local terms energy: -78.008420
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -180.642987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.642987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.642987 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -44.513
Base-Backbone interact. energy: -0.501
local terms energy: -66.442785
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -171.699102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.699102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.699102 (E_RNA)
where:
Base-Base interactions energy: -110.969
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.377
local terms energy: -60.353034
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.487
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: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -86.998594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.998594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.998594 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -24.131
Base-Backbone interact. energy: -0.082
local terms energy: -57.919280
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -86.742076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.742076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.742076 (E_RNA)
where:
Base-Base interactions energy: -34.005
where: short stacking energy: -26.488
Base-Backbone interact. energy: 0.953
local terms energy: -53.690081
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -9.943
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: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -273.061369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.061369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.061369 (E_RNA)
where:
Base-Base interactions energy: -184.936
where: short stacking energy: -73.970
Base-Backbone interact. energy: -1.325
local terms energy: -86.799417
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -235.553325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.553325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.553325 (E_RNA)
where:
Base-Base interactions energy: -150.644
where: short stacking energy: -74.396
Base-Backbone interact. energy: 0.576
local terms energy: -85.485133
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -215.304377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.304377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.304377 (E_RNA)
where:
Base-Base interactions energy: -135.143
where: short stacking energy: -55.223
Base-Backbone interact. energy: -0.180
local terms energy: -79.981745
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -15.804
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: 226
Temperature: 1.050000
Total energy: -203.314614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.314614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.314614 (E_RNA)
where:
Base-Base interactions energy: -128.927
where: short stacking energy: -69.533
Base-Backbone interact. energy: -0.044
local terms energy: -74.343805
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -206.387547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.387547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.387547 (E_RNA)
where:
Base-Base interactions energy: -119.865
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.688
local terms energy: -85.834727
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -200.351270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.351270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.351270 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.045
local terms energy: -74.421527
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -14.588
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: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -190.116920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.116920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.116920 (E_RNA)
where:
Base-Base interactions energy: -116.172
where: short stacking energy: -56.168
Base-Backbone interact. energy: -0.206
local terms energy: -73.738826
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -174.611526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.611526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.611526 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -46.497
Base-Backbone interact. energy: -0.013
local terms energy: -61.135383
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -125.815276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.815276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.815276 (E_RNA)
where:
Base-Base interactions energy: -69.696
where: short stacking energy: -27.085
Base-Backbone interact. energy: -0.250
local terms energy: -55.869197
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: 0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -85.218838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.218838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.218838 (E_RNA)
where:
Base-Base interactions energy: -37.553
where: short stacking energy: -27.056
Base-Backbone interact. energy: 0.566
local terms energy: -48.231637
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -3.336
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: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -270.187088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.187088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.187088 (E_RNA)
where:
Base-Base interactions energy: -185.554
where: short stacking energy: -71.171
Base-Backbone interact. energy: -1.480
local terms energy: -83.152789
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -223.515458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.515458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.515458 (E_RNA)
where:
Base-Base interactions energy: -148.534
where: short stacking energy: -68.260
Base-Backbone interact. energy: -0.158
local terms energy: -74.822862
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -9.624
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: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -216.220460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.220460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.220460 (E_RNA)
where:
Base-Base interactions energy: -125.668
where: short stacking energy: -65.307
Base-Backbone interact. energy: -0.207
local terms energy: -90.345842
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -20.189
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: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -210.350189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.350189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.350189 (E_RNA)
where:
Base-Base interactions energy: -141.965
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.300
local terms energy: -68.084941
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.337
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: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -208.701723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.701723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.701723 (E_RNA)
where:
Base-Base interactions energy: -126.271
where: short stacking energy: -65.809
Base-Backbone interact. energy: -1.024
local terms energy: -81.406870
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -189.806447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.806447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.806447 (E_RNA)
where:
Base-Base interactions energy: -120.523
where: short stacking energy: -61.027
Base-Backbone interact. energy: -0.189
local terms energy: -69.094765
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -12.524
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: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -192.078062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.078062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.078062 (E_RNA)
where:
Base-Base interactions energy: -118.905
where: short stacking energy: -51.688
Base-Backbone interact. energy: -1.163
local terms energy: -72.009564
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -189.067253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.067253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.067253 (E_RNA)
where:
Base-Base interactions energy: -119.135
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.176
local terms energy: -69.755618
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -82.234274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.234274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.234274 (E_RNA)
where:
Base-Base interactions energy: -24.195
where: short stacking energy: -23.842
Base-Backbone interact. energy: -0.145
local terms energy: -57.894067
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -101.151241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.151241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.151241 (E_RNA)
where:
Base-Base interactions energy: -38.191
where: short stacking energy: -19.899
Base-Backbone interact. energy: -0.105
local terms energy: -62.855967
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -271.610312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.610312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.610312 (E_RNA)
where:
Base-Base interactions energy: -177.953
where: short stacking energy: -75.449
Base-Backbone interact. energy: -0.915
local terms energy: -92.741865
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -13.431
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: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -223.723598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.723598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.723598 (E_RNA)
where:
Base-Base interactions energy: -136.864
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.827
local terms energy: -86.031670
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -24.653
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: 228
Temperature: 1.000000
Total energy: -218.493550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.493550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.493550 (E_RNA)
where:
Base-Base interactions energy: -135.622
where: short stacking energy: -65.968
Base-Backbone interact. energy: -0.155
local terms energy: -82.717098
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -16.092
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: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -209.085309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.085309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.085309 (E_RNA)
where:
Base-Base interactions energy: -125.421
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.977
local terms energy: -82.686975
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -189.606326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.606326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.606326 (E_RNA)
where:
Base-Base interactions energy: -115.276
where: short stacking energy: -49.554
Base-Backbone interact. energy: -0.661
local terms energy: -73.669073
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -10.795
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: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -200.333065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.333065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.333065 (E_RNA)
where:
Base-Base interactions energy: -119.862
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.115
local terms energy: -80.355783
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -14.117
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: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -189.334301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.334301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.334301 (E_RNA)
where:
Base-Base interactions energy: -121.227
where: short stacking energy: -56.142
Base-Backbone interact. energy: -0.078
local terms energy: -68.028689
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -164.642435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.642435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.642435 (E_RNA)
where:
Base-Base interactions energy: -97.536
where: short stacking energy: -45.882
Base-Backbone interact. energy: 2.668
local terms energy: -69.774625
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -174.249763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.249763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.249763 (E_RNA)
where:
Base-Base interactions energy: -107.116
where: short stacking energy: -51.760
Base-Backbone interact. energy: -0.114
local terms energy: -67.019770
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -13.958
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: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -88.622492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.622492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.622492 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -24.784
Base-Backbone interact. energy: 0.289
local terms energy: -54.103323
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -262.959838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.959838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.959838 (E_RNA)
where:
Base-Base interactions energy: -172.977
where: short stacking energy: -73.645
Base-Backbone interact. energy: -0.465
local terms energy: -89.518482
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -19.841
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: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -224.793916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.793916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.793916 (E_RNA)
where:
Base-Base interactions energy: -137.508
where: short stacking energy: -77.914
Base-Backbone interact. energy: 0.006
local terms energy: -87.291421
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -217.149619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.149619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.149619 (E_RNA)
where:
Base-Base interactions energy: -137.585
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.987
local terms energy: -78.577250
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -207.708868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.708868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.708868 (E_RNA)
where:
Base-Base interactions energy: -133.936
where: short stacking energy: -57.406
Base-Backbone interact. energy: -1.342
local terms energy: -72.430940
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -9.469
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: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -207.352051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.352051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.352051 (E_RNA)
where:
Base-Base interactions energy: -130.606
where: short stacking energy: -70.028
Base-Backbone interact. energy: -0.930
local terms energy: -75.815304
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -9.601
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: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -185.845053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.845053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.845053 (E_RNA)
where:
Base-Base interactions energy: -109.182
where: short stacking energy: -41.752
Base-Backbone interact. energy: -0.218
local terms energy: -76.444550
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -198.622837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.622837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622837 (E_RNA)
where:
Base-Base interactions energy: -133.612
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.024
local terms energy: -64.986526
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -195.895298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.895298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.895298 (E_RNA)
where:
Base-Base interactions energy: -119.106
where: short stacking energy: -62.072
Base-Backbone interact. energy: -0.042
local terms energy: -76.746863
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -19.861
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: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -174.230246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.230246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.230246 (E_RNA)
where:
Base-Base interactions energy: -99.191
where: short stacking energy: -47.517
Base-Backbone interact. energy: -0.287
local terms energy: -74.751990
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -9.673
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: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -83.414018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.414018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.414018 (E_RNA)
where:
Base-Base interactions energy: -36.891
where: short stacking energy: -26.000
Base-Backbone interact. energy: -0.087
local terms energy: -46.436276
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -263.262670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.262670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.262670 (E_RNA)
where:
Base-Base interactions energy: -177.429
where: short stacking energy: -72.856
Base-Backbone interact. energy: -0.504
local terms energy: -85.329577
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -12.860
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: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -221.384308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.384308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.384308 (E_RNA)
where:
Base-Base interactions energy: -134.372
where: short stacking energy: -67.005
Base-Backbone interact. energy: -1.253
local terms energy: -85.759344
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -20.666
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: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -211.250281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.250281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.250281 (E_RNA)
where:
Base-Base interactions energy: -132.553
where: short stacking energy: -63.377
Base-Backbone interact. energy: -0.001
local terms energy: -78.696422
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -209.917686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.917686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.917686 (E_RNA)
where:
Base-Base interactions energy: -135.759
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.486
local terms energy: -73.672654
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -16.905
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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -211.416545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.416545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.416545 (E_RNA)
where:
Base-Base interactions energy: -122.947
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.002
local terms energy: -88.467084
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -201.851547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.851547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.851547 (E_RNA)
where:
Base-Base interactions energy: -129.374
where: short stacking energy: -46.327
Base-Backbone interact. energy: -0.721
local terms energy: -71.755956
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -198.440703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.440703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.440703 (E_RNA)
where:
Base-Base interactions energy: -125.093
where: short stacking energy: -66.298
Base-Backbone interact. energy: -0.226
local terms energy: -73.122052
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -169.130259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.130259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.130259 (E_RNA)
where:
Base-Base interactions energy: -108.974
where: short stacking energy: -57.844
Base-Backbone interact. energy: 0.733
local terms energy: -60.888591
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -178.340856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.340856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.340856 (E_RNA)
where:
Base-Base interactions energy: -103.754
where: short stacking energy: -45.695
Base-Backbone interact. energy: -0.277
local terms energy: -74.310022
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -81.033807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.033807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.033807 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.107
local terms energy: -51.474171
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -269.605589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.605589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.605589 (E_RNA)
where:
Base-Base interactions energy: -175.988
where: short stacking energy: -76.918
Base-Backbone interact. energy: -0.287
local terms energy: -93.330529
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -23.815
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: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -226.549717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.549717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.549717 (E_RNA)
where:
Base-Base interactions energy: -143.336
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.057
local terms energy: -83.157236
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -212.827082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.827082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.827082 (E_RNA)
where:
Base-Base interactions energy: -143.675
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.038
local terms energy: -69.114144
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -20.059
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: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -212.298837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.298837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.298837 (E_RNA)
where:
Base-Base interactions energy: -130.808
where: short stacking energy: -73.482
Base-Backbone interact. energy: -0.184
local terms energy: -81.306361
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -7.864
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: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -210.789969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.789969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.789969 (E_RNA)
where:
Base-Base interactions energy: -131.929
where: short stacking energy: -63.789
Base-Backbone interact. energy: -1.369
local terms energy: -77.492278
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -195.785311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.785311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.785311 (E_RNA)
where:
Base-Base interactions energy: -125.127
where: short stacking energy: -56.671
Base-Backbone interact. energy: 0.941
local terms energy: -71.598978
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -6.393
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: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -184.696839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.696839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.696839 (E_RNA)
where:
Base-Base interactions energy: -109.471
where: short stacking energy: -50.636
Base-Backbone interact. energy: -0.144
local terms energy: -75.082005
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -180.059390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.059390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.059390 (E_RNA)
where:
Base-Base interactions energy: -113.992
where: short stacking energy: -56.424
Base-Backbone interact. energy: -0.363
local terms energy: -65.703975
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -152.031215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.031215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.031215 (E_RNA)
where:
Base-Base interactions energy: -90.769
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.088
local terms energy: -61.174645
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -83.239143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.239143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.239143 (E_RNA)
where:
Base-Base interactions energy: -27.510
where: short stacking energy: -27.510
Base-Backbone interact. energy: -0.797
local terms energy: -54.932375
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -267.772823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.772823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.772823 (E_RNA)
where:
Base-Base interactions energy: -183.808
where: short stacking energy: -70.258
Base-Backbone interact. energy: -0.753
local terms energy: -83.212122
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -21.151
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: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -223.884294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.884294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.884294 (E_RNA)
where:
Base-Base interactions energy: -137.272
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.007
local terms energy: -86.606031
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -225.916713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.916713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.916713 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -78.085
Base-Backbone interact. energy: -0.287
local terms energy: -84.457000
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -216.224167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.224167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.224167 (E_RNA)
where:
Base-Base interactions energy: -138.483
where: short stacking energy: -73.897
Base-Backbone interact. energy: -0.012
local terms energy: -77.729414
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -204.273187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.273187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.273187 (E_RNA)
where:
Base-Base interactions energy: -130.728
where: short stacking energy: -56.941
Base-Backbone interact. energy: -0.325
local terms energy: -73.219884
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -186.864293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.864293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.864293 (E_RNA)
where:
Base-Base interactions energy: -106.830
where: short stacking energy: -46.629
Base-Backbone interact. energy: -0.143
local terms energy: -79.891447
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -182.622121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.622121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.622121 (E_RNA)
where:
Base-Base interactions energy: -114.584
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.433
local terms energy: -67.605677
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -173.413048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.413048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.413048 (E_RNA)
where:
Base-Base interactions energy: -115.970
where: short stacking energy: -54.344
Base-Backbone interact. energy: -0.469
local terms energy: -56.974036
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -90.650694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.650694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.650694 (E_RNA)
where:
Base-Base interactions energy: -26.833
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.188
local terms energy: -63.629846
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -88.778653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.778653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.778653 (E_RNA)
where:
Base-Base interactions energy: -48.107
where: short stacking energy: -16.025
Base-Backbone interact. energy: 0.136
local terms energy: -40.808118
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: 5.265
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: 233
Temperature: 0.900000
Total energy: -267.325451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.325451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.325451 (E_RNA)
where:
Base-Base interactions energy: -182.296
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.738
local terms energy: -84.291466
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -22.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -223.271507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.271507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.271507 (E_RNA)
where:
Base-Base interactions energy: -136.084
where: short stacking energy: -67.426
Base-Backbone interact. energy: 0.909
local terms energy: -88.096280
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -212.813627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.813627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.813627 (E_RNA)
where:
Base-Base interactions energy: -134.967
where: short stacking energy: -66.971
Base-Backbone interact. energy: -0.511
local terms energy: -77.335133
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -208.517479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.517479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.517479 (E_RNA)
where:
Base-Base interactions energy: -125.304
where: short stacking energy: -56.536
Base-Backbone interact. energy: -0.159
local terms energy: -83.053899
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -215.373566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.373566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.373566 (E_RNA)
where:
Base-Base interactions energy: -134.549
where: short stacking energy: -66.996
Base-Backbone interact. energy: 4.014
local terms energy: -84.838308
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -16.377
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: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -194.870123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.870123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.870123 (E_RNA)
where:
Base-Base interactions energy: -122.821
where: short stacking energy: -55.115
Base-Backbone interact. energy: -0.363
local terms energy: -71.686480
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -14.269
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: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -173.714806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.714806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.714806 (E_RNA)
where:
Base-Base interactions energy: -106.805
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.020
local terms energy: -66.889787
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -10.100
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: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -170.267730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.267730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.267730 (E_RNA)
where:
Base-Base interactions energy: -108.504
where: short stacking energy: -43.764
Base-Backbone interact. energy: -0.590
local terms energy: -61.173374
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -9.281
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: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -89.612595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.612595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.612595 (E_RNA)
where:
Base-Base interactions energy: -40.477
where: short stacking energy: -34.014
Base-Backbone interact. energy: -0.132
local terms energy: -49.003803
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: 1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -81.974052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974052 (E_RNA)
where:
Base-Base interactions energy: -29.182
where: short stacking energy: -29.182
Base-Backbone interact. energy: -0.052
local terms energy: -52.740149
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -6.544
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -272.444334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.444334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.444334 (E_RNA)
where:
Base-Base interactions energy: -183.930
where: short stacking energy: -69.984
Base-Backbone interact. energy: -0.372
local terms energy: -88.142690
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -222.138808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.138808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.138808 (E_RNA)
where:
Base-Base interactions energy: -143.715
where: short stacking energy: -68.290
Base-Backbone interact. energy: -0.011
local terms energy: -78.413246
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -223.456107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.456107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.456107 (E_RNA)
where:
Base-Base interactions energy: -140.308
where: short stacking energy: -63.962
Base-Backbone interact. energy: -0.055
local terms energy: -83.093274
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -205.837960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.837960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.837960 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -57.588
Base-Backbone interact. energy: -0.085
local terms energy: -81.387111
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -14.339
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: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -199.442700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.442700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.442700 (E_RNA)
where:
Base-Base interactions energy: -119.988
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.321
local terms energy: -79.133598
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -8.868
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: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -187.676997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.676997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676997 (E_RNA)
where:
Base-Base interactions energy: -113.374
where: short stacking energy: -53.062
Base-Backbone interact. energy: -0.035
local terms energy: -74.268091
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -196.288073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.288073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.288073 (E_RNA)
where:
Base-Base interactions energy: -114.322
where: short stacking energy: -54.484
Base-Backbone interact. energy: -0.181
local terms energy: -81.784929
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -165.626647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.626647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.626647 (E_RNA)
where:
Base-Base interactions energy: -97.927
where: short stacking energy: -45.727
Base-Backbone interact. energy: -0.024
local terms energy: -67.675099
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -10.788
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: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -111.534614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.534614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.534614 (E_RNA)
where:
Base-Base interactions energy: -60.044
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.535
local terms energy: -50.956018
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -4.208
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: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -87.786785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.786785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.786785 (E_RNA)
where:
Base-Base interactions energy: -25.893
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.017
local terms energy: -61.876629
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -11.779
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: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -273.522923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.522923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.522923 (E_RNA)
where:
Base-Base interactions energy: -183.238
where: short stacking energy: -79.426
Base-Backbone interact. energy: 2.305
local terms energy: -92.589681
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -24.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -224.766768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.766768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.766768 (E_RNA)
where:
Base-Base interactions energy: -150.236
where: short stacking energy: -65.609
Base-Backbone interact. energy: -1.451
local terms energy: -73.079448
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -239.106152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.106152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.106152 (E_RNA)
where:
Base-Base interactions energy: -149.401
where: short stacking energy: -74.845
Base-Backbone interact. energy: -0.001
local terms energy: -89.703907
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -18.423
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: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -199.597226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.597226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.597226 (E_RNA)
where:
Base-Base interactions energy: -120.475
where: short stacking energy: -54.801
Base-Backbone interact. energy: -0.570
local terms energy: -78.552368
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.864
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: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -194.360384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.360384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.360384 (E_RNA)
where:
Base-Base interactions energy: -118.960
where: short stacking energy: -55.803
Base-Backbone interact. energy: -1.474
local terms energy: -73.927000
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -210.392990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.392990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.392990 (E_RNA)
where:
Base-Base interactions energy: -135.016
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.281
local terms energy: -75.095729
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -14.152
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: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -179.733358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.733358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.733358 (E_RNA)
where:
Base-Base interactions energy: -115.379
where: short stacking energy: -45.787
Base-Backbone interact. energy: -0.642
local terms energy: -63.712065
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -142.759316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.759316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.759316 (E_RNA)
where:
Base-Base interactions energy: -89.597
where: short stacking energy: -41.685
Base-Backbone interact. energy: 0.835
local terms energy: -53.997662
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -89.651942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.651942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.651942 (E_RNA)
where:
Base-Base interactions energy: -36.137
where: short stacking energy: -33.916
Base-Backbone interact. energy: -0.282
local terms energy: -53.232290
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: 0.214
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: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -88.745539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.745539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.745539 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.116
local terms energy: -53.953505
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -3.466
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: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -267.711089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.711089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.711089 (E_RNA)
where:
Base-Base interactions energy: -188.328
where: short stacking energy: -72.108
Base-Backbone interact. energy: -1.155
local terms energy: -78.228653
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -239.299669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.299669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.299669 (E_RNA)
where:
Base-Base interactions energy: -151.969
where: short stacking energy: -70.832
Base-Backbone interact. energy: -1.173
local terms energy: -86.158360
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -215.899625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.899625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.899625 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -67.705
Base-Backbone interact. energy: -0.174
local terms energy: -81.733014
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -10.062
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: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -219.575645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.575645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.575645 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.092
local terms energy: -74.426987
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -18.433
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: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -200.363489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.363489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.363489 (E_RNA)
where:
Base-Base interactions energy: -123.250
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.253
local terms energy: -76.860611
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -17.160
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: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -199.880521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.880521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.880521 (E_RNA)
where:
Base-Base interactions energy: -119.078
where: short stacking energy: -50.424
Base-Backbone interact. energy: -1.118
local terms energy: -79.684945
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -187.057886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.057886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.057886 (E_RNA)
where:
Base-Base interactions energy: -117.424
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.161
local terms energy: -69.472539
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -183.676548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.676548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.676548 (E_RNA)
where:
Base-Base interactions energy: -110.443
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.931
local terms energy: -72.302607
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -84.537891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.537891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.537891 (E_RNA)
where:
Base-Base interactions energy: -31.930
where: short stacking energy: -28.701
Base-Backbone interact. energy: -0.339
local terms energy: -52.269118
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -8.899
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: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -83.024373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.024373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.024373 (E_RNA)
where:
Base-Base interactions energy: -27.776
where: short stacking energy: -23.290
Base-Backbone interact. energy: -0.157
local terms energy: -55.091009
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -272.695816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.695816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.695816 (E_RNA)
where:
Base-Base interactions energy: -185.051
where: short stacking energy: -76.538
Base-Backbone interact. energy: 0.928
local terms energy: -88.573549
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -23.256
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -235.911251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.911251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.911251 (E_RNA)
where:
Base-Base interactions energy: -140.866
where: short stacking energy: -76.196
Base-Backbone interact. energy: 0.009
local terms energy: -95.054688
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -209.943220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.943220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.943220 (E_RNA)
where:
Base-Base interactions energy: -130.757
where: short stacking energy: -62.240
Base-Backbone interact. energy: -0.085
local terms energy: -79.101544
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -213.428628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.428628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.428628 (E_RNA)
where:
Base-Base interactions energy: -133.709
where: short stacking energy: -70.888
Base-Backbone interact. energy: -0.628
local terms energy: -79.091648
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -20.105
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: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -203.467617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.467617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.467617 (E_RNA)
where:
Base-Base interactions energy: -134.989
where: short stacking energy: -68.339
Base-Backbone interact. energy: -0.146
local terms energy: -68.332865
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -193.349692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.349692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.349692 (E_RNA)
where:
Base-Base interactions energy: -115.384
where: short stacking energy: -49.707
Base-Backbone interact. energy: -0.912
local terms energy: -77.053387
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -13.009
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: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -191.279787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.279787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.279787 (E_RNA)
where:
Base-Base interactions energy: -118.686
where: short stacking energy: -44.960
Base-Backbone interact. energy: -0.270
local terms energy: -72.324297
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -166.755359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.755359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.755359 (E_RNA)
where:
Base-Base interactions energy: -90.529
where: short stacking energy: -38.316
Base-Backbone interact. energy: -1.342
local terms energy: -74.884043
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -9.511
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: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -87.700742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700742 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -32.001
Base-Backbone interact. energy: -0.051
local terms energy: -55.648835
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.216
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: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -93.259976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.259976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.259976 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -20.692
Base-Backbone interact. energy: -0.235
local terms energy: -53.935016
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -275.762960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.762960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.762960 (E_RNA)
where:
Base-Base interactions energy: -193.964
where: short stacking energy: -76.444
Base-Backbone interact. energy: -0.920
local terms energy: -80.879180
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -21.850
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: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -221.523842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.523842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.523842 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -68.969
Base-Backbone interact. energy: -1.719
local terms energy: -86.413224
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -17.806
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: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -218.585331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.585331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.585331 (E_RNA)
where:
Base-Base interactions energy: -135.131
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.376
local terms energy: -83.078338
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -202.264644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.264644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.264644 (E_RNA)
where:
Base-Base interactions energy: -129.841
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.269
local terms energy: -72.154687
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -193.474778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.474778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.474778 (E_RNA)
where:
Base-Base interactions energy: -116.054
where: short stacking energy: -60.034
Base-Backbone interact. energy: -0.143
local terms energy: -77.278524
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -13.348
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: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -203.416776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.416776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.416776 (E_RNA)
where:
Base-Base interactions energy: -128.835
where: short stacking energy: -50.692
Base-Backbone interact. energy: -1.301
local terms energy: -73.280082
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -183.883403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.883403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.883403 (E_RNA)
where:
Base-Base interactions energy: -120.782
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.135
local terms energy: -62.966693
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -174.704005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.704005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.704005 (E_RNA)
where:
Base-Base interactions energy: -116.004
where: short stacking energy: -44.441
Base-Backbone interact. energy: -1.227
local terms energy: -57.473142
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -92.957396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.957396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.957396 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.188
local terms energy: -59.718589
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -80.449013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.449013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.449013 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -31.776
Base-Backbone interact. energy: 2.574
local terms energy: -47.766539
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -261.422174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.422174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.422174 (E_RNA)
where:
Base-Base interactions energy: -182.200
where: short stacking energy: -76.636
Base-Backbone interact. energy: -0.560
local terms energy: -78.663001
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -235.727016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.727016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.727016 (E_RNA)
where:
Base-Base interactions energy: -140.778
where: short stacking energy: -79.901
Base-Backbone interact. energy: -0.254
local terms energy: -94.695256
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -25.052
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: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -223.902199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.902199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.902199 (E_RNA)
where:
Base-Base interactions energy: -137.856
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.001
local terms energy: -86.045762
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -209.798983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.798983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.798983 (E_RNA)
where:
Base-Base interactions energy: -129.409
where: short stacking energy: -68.698
Base-Backbone interact. energy: -1.140
local terms energy: -79.250763
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -208.118068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.118068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.118068 (E_RNA)
where:
Base-Base interactions energy: -121.993
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.232
local terms energy: -85.893499
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -234.908648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.908648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.908648 (E_RNA)
where:
Base-Base interactions energy: -155.771
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.101
local terms energy: -79.036210
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -190.390200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.390200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.390200 (E_RNA)
where:
Base-Base interactions energy: -113.613
where: short stacking energy: -54.885
Base-Backbone interact. energy: 0.378
local terms energy: -77.155584
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -12.646
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: 239
Temperature: 1.250000
Total energy: -188.052641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.052641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.052641 (E_RNA)
where:
Base-Base interactions energy: -107.434
where: short stacking energy: -51.607
Base-Backbone interact. energy: -0.089
local terms energy: -80.529384
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -13.725
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: 239
Temperature: 1.300000
Total energy: -99.498531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.498531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.498531 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.165
local terms energy: -68.382261
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -88.720854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.720854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.720854 (E_RNA)
where:
Base-Base interactions energy: -33.516
where: short stacking energy: -29.941
Base-Backbone interact. energy: -0.218
local terms energy: -54.986336
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -270.460949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.460949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.460949 (E_RNA)
where:
Base-Base interactions energy: -177.576
where: short stacking energy: -70.412
Base-Backbone interact. energy: -0.840
local terms energy: -92.045162
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -25.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -236.833564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.833564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.833564 (E_RNA)
where:
Base-Base interactions energy: -152.412
where: short stacking energy: -78.859
Base-Backbone interact. energy: -0.073
local terms energy: -84.348590
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -218.818188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.818188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.818188 (E_RNA)
where:
Base-Base interactions energy: -132.126
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.094
local terms energy: -86.598241
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -19.399
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: 240
Temperature: 1.050000
Total energy: -223.853628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.853628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.853628 (E_RNA)
where:
Base-Base interactions energy: -142.791
where: short stacking energy: -85.344
Base-Backbone interact. energy: 1.008
local terms energy: -82.070328
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -25.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -209.465573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.465573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.465573 (E_RNA)
where:
Base-Base interactions energy: -124.951
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.113
local terms energy: -84.401349
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -200.746767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.746767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.746767 (E_RNA)
where:
Base-Base interactions energy: -126.754
where: short stacking energy: -58.254
Base-Backbone interact. energy: -0.943
local terms energy: -73.050142
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -171.488931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.488931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.488931 (E_RNA)
where:
Base-Base interactions energy: -104.458
where: short stacking energy: -55.558
Base-Backbone interact. energy: -0.222
local terms energy: -66.808751
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -193.683668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.683668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.683668 (E_RNA)
where:
Base-Base interactions energy: -121.676
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.987
local terms energy: -71.020387
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -12.144
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: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -95.067465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.067465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.067465 (E_RNA)
where:
Base-Base interactions energy: -45.016
where: short stacking energy: -26.516
Base-Backbone interact. energy: -0.421
local terms energy: -49.630477
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -83.251969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.251969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.251969 (E_RNA)
where:
Base-Base interactions energy: -24.802
where: short stacking energy: -18.683
Base-Backbone interact. energy: -0.995
local terms energy: -57.455030
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: 3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -267.867839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.867839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.867839 (E_RNA)
where:
Base-Base interactions energy: -175.309
where: short stacking energy: -73.905
Base-Backbone interact. energy: -0.208
local terms energy: -92.351720
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -23.335
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: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -226.264287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.264287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.264287 (E_RNA)
where:
Base-Base interactions energy: -145.326
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.013
local terms energy: -80.926012
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -20.775
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: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -209.171321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171321 (E_RNA)
where:
Base-Base interactions energy: -129.056
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.603
local terms energy: -79.512034
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -15.658
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: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -204.971529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.971529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.971529 (E_RNA)
where:
Base-Base interactions energy: -132.054
where: short stacking energy: -58.157
Base-Backbone interact. energy: -1.349
local terms energy: -71.569108
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -16.017
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: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -192.974652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.974652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.974652 (E_RNA)
where:
Base-Base interactions energy: -125.347
where: short stacking energy: -64.793
Base-Backbone interact. energy: -0.322
local terms energy: -67.305771
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -1.356
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -201.146533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.146533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.146533 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.144
local terms energy: -75.435686
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -14.170
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: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -185.018130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.018130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.018130 (E_RNA)
where:
Base-Base interactions energy: -122.377
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.491
local terms energy: -62.149630
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -176.593615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.593615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.593615 (E_RNA)
where:
Base-Base interactions energy: -109.379
where: short stacking energy: -50.545
Base-Backbone interact. energy: -1.084
local terms energy: -66.130904
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -116.108697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.108697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.108697 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -43.764
Base-Backbone interact. energy: -0.106
local terms energy: -72.238217
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -14.532
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: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -94.844974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.844974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.844974 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -23.616
Base-Backbone interact. energy: -0.087
local terms energy: -64.060627
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -263.584739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.584739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.584739 (E_RNA)
where:
Base-Base interactions energy: -169.441
where: short stacking energy: -80.058
Base-Backbone interact. energy: -0.344
local terms energy: -93.800120
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -26.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -231.679304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.679304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.679304 (E_RNA)
where:
Base-Base interactions energy: -144.287
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.007
local terms energy: -87.385298
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -221.923403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.923403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.923403 (E_RNA)
where:
Base-Base interactions energy: -136.332
where: short stacking energy: -67.956
Base-Backbone interact. energy: -0.019
local terms energy: -85.572514
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -13.304
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: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -204.893373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.893373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.893373 (E_RNA)
where:
Base-Base interactions energy: -127.872
where: short stacking energy: -63.984
Base-Backbone interact. energy: -0.095
local terms energy: -76.926238
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -202.054999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.054999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.054999 (E_RNA)
where:
Base-Base interactions energy: -129.227
where: short stacking energy: -56.221
Base-Backbone interact. energy: -0.179
local terms energy: -72.648896
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -193.619829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.619829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.619829 (E_RNA)
where:
Base-Base interactions energy: -127.739
where: short stacking energy: -60.417
Base-Backbone interact. energy: 0.743
local terms energy: -66.624102
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -8.143
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: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -194.274166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.274166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.274166 (E_RNA)
where:
Base-Base interactions energy: -123.646
where: short stacking energy: -57.998
Base-Backbone interact. energy: -0.138
local terms energy: -70.490036
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -13.332
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: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -173.591125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.591125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.591125 (E_RNA)
where:
Base-Base interactions energy: -108.452
where: short stacking energy: -41.669
Base-Backbone interact. energy: 0.176
local terms energy: -65.316056
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -13.071
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: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -82.423679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.423679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.423679 (E_RNA)
where:
Base-Base interactions energy: -29.259
where: short stacking energy: -18.213
Base-Backbone interact. energy: -1.124
local terms energy: -52.040889
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -87.090965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.090965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.090965 (E_RNA)
where:
Base-Base interactions energy: -37.726
where: short stacking energy: -24.306
Base-Backbone interact. energy: -1.714
local terms energy: -47.650433
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -266.704417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.704417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.704417 (E_RNA)
where:
Base-Base interactions energy: -181.004
where: short stacking energy: -70.611
Base-Backbone interact. energy: -0.374
local terms energy: -85.326385
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -11.537
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: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -225.387155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.387155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.387155 (E_RNA)
where:
Base-Base interactions energy: -137.856
where: short stacking energy: -78.588
Base-Backbone interact. energy: -0.324
local terms energy: -87.207271
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -12.320
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: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -230.513276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.513276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.513276 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -70.950
Base-Backbone interact. energy: -1.298
local terms energy: -87.975306
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -21.758
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: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -209.936114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.936114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.936114 (E_RNA)
where:
Base-Base interactions energy: -131.176
where: short stacking energy: -68.453
Base-Backbone interact. energy: 0.819
local terms energy: -79.578727
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -188.883589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.883589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.883589 (E_RNA)
where:
Base-Base interactions energy: -116.627
where: short stacking energy: -60.616
Base-Backbone interact. energy: -0.050
local terms energy: -72.206079
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -188.237848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.237848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.237848 (E_RNA)
where:
Base-Base interactions energy: -115.178
where: short stacking energy: -52.075
Base-Backbone interact. energy: 0.114
local terms energy: -73.173712
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -190.668107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.668107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.668107 (E_RNA)
where:
Base-Base interactions energy: -111.525
where: short stacking energy: -57.435
Base-Backbone interact. energy: -0.038
local terms energy: -79.104488
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -18.799
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: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -101.957014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.957014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.957014 (E_RNA)
where:
Base-Base interactions energy: -42.165
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.269
local terms energy: -59.523035
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -192.779978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.779978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.779978 (E_RNA)
where:
Base-Base interactions energy: -113.664
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.082
local terms energy: -79.033383
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -89.200041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.200041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.200041 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -26.232
Base-Backbone interact. energy: -0.474
local terms energy: -55.969258
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -264.711897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.711897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.711897 (E_RNA)
where:
Base-Base interactions energy: -180.616
where: short stacking energy: -75.875
Base-Backbone interact. energy: -0.935
local terms energy: -83.160226
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -219.328583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.328583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.328583 (E_RNA)
where:
Base-Base interactions energy: -140.729
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.247
local terms energy: -78.352666
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -12.424
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: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -235.370855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.370855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.370855 (E_RNA)
where:
Base-Base interactions energy: -155.149
where: short stacking energy: -70.171
Base-Backbone interact. energy: 0.014
local terms energy: -80.235555
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -13.794
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: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -200.684574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.684574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.684574 (E_RNA)
where:
Base-Base interactions energy: -125.212
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.058
local terms energy: -75.414452
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -202.994615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.994615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.994615 (E_RNA)
where:
Base-Base interactions energy: -128.698
where: short stacking energy: -67.043
Base-Backbone interact. energy: 0.002
local terms energy: -74.299059
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -16.890
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: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -179.671466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.671466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.671466 (E_RNA)
where:
Base-Base interactions energy: -115.283
where: short stacking energy: -55.406
Base-Backbone interact. energy: -1.279
local terms energy: -63.109279
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -191.247828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.247828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.247828 (E_RNA)
where:
Base-Base interactions energy: -118.584
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.003
local terms energy: -72.661379
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -14.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -90.391002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391002 (E_RNA)
where:
Base-Base interactions energy: -37.530
where: short stacking energy: -20.285
Base-Backbone interact. energy: -0.539
local terms energy: -52.322244
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: 2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -167.909525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.909525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.909525 (E_RNA)
where:
Base-Base interactions energy: -101.896
where: short stacking energy: -47.692
Base-Backbone interact. energy: 0.545
local terms energy: -66.558423
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -90.093981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.093981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.093981 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.130
local terms energy: -61.630620
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -3.648
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: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -276.228172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.228172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.228172 (E_RNA)
where:
Base-Base interactions energy: -187.037
where: short stacking energy: -76.570
Base-Backbone interact. energy: -0.533
local terms energy: -88.657556
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -229.040862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.040862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.040862 (E_RNA)
where:
Base-Base interactions energy: -147.843
where: short stacking energy: -70.382
Base-Backbone interact. energy: -0.274
local terms energy: -80.924075
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -20.887
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: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -215.580363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580363 (E_RNA)
where:
Base-Base interactions energy: -140.795
where: short stacking energy: -65.293
Base-Backbone interact. energy: -0.930
local terms energy: -73.855832
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -212.819678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.819678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.819678 (E_RNA)
where:
Base-Base interactions energy: -133.875
where: short stacking energy: -55.987
Base-Backbone interact. energy: -0.038
local terms energy: -78.907259
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -13.403
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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -208.901174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.901174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.901174 (E_RNA)
where:
Base-Base interactions energy: -128.468
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.189
local terms energy: -80.243415
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -198.984260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.984260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.984260 (E_RNA)
where:
Base-Base interactions energy: -123.922
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.332
local terms energy: -74.730762
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -185.248499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.248499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.248499 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -50.288
Base-Backbone interact. energy: -0.086
local terms energy: -68.971872
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -171.746488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.746488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.746488 (E_RNA)
where:
Base-Base interactions energy: -101.448
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.367
local terms energy: -69.931088
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -100.434237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.434237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.434237 (E_RNA)
where:
Base-Base interactions energy: -48.422
where: short stacking energy: -37.933
Base-Backbone interact. energy: -0.116
local terms energy: -51.896385
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -2.061
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: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -88.077857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.077857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.077857 (E_RNA)
where:
Base-Base interactions energy: -31.310
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.128
local terms energy: -56.640485
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -266.744220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.744220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.744220 (E_RNA)
where:
Base-Base interactions energy: -176.087
where: short stacking energy: -77.984
Base-Backbone interact. energy: -0.698
local terms energy: -89.959127
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -224.986402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.986402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.986402 (E_RNA)
where:
Base-Base interactions energy: -136.185
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.590
local terms energy: -88.211870
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -229.257567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.257567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.257567 (E_RNA)
where:
Base-Base interactions energy: -143.085
where: short stacking energy: -80.768
Base-Backbone interact. energy: -0.000
local terms energy: -86.172545
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -23.115
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: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -205.303100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.303100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.303100 (E_RNA)
where:
Base-Base interactions energy: -138.627
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.265
local terms energy: -66.410668
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -11.332
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: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -198.108118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.108118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.108118 (E_RNA)
where:
Base-Base interactions energy: -138.121
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.357
local terms energy: -59.630184
where:
bonds (distance) C4'-P energy: -6.553
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.808
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: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -201.977606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.977606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.977606 (E_RNA)
where:
Base-Base interactions energy: -131.703
where: short stacking energy: -61.212
Base-Backbone interact. energy: 0.046
local terms energy: -70.320077
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -189.039139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.039139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.039139 (E_RNA)
where:
Base-Base interactions energy: -118.053
where: short stacking energy: -58.471
Base-Backbone interact. energy: -0.206
local terms energy: -70.780358
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -183.867531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.867531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.867531 (E_RNA)
where:
Base-Base interactions energy: -115.001
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.009
local terms energy: -68.857063
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -85.609873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.609873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.609873 (E_RNA)
where:
Base-Base interactions energy: -27.643
where: short stacking energy: -27.643
Base-Backbone interact. energy: -0.074
local terms energy: -57.892393
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -12.374
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: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -99.372164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372164 (E_RNA)
where:
Base-Base interactions energy: -48.703
where: short stacking energy: -40.252
Base-Backbone interact. energy: -0.827
local terms energy: -49.841711
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -268.858293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.858293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.858293 (E_RNA)
where:
Base-Base interactions energy: -184.484
where: short stacking energy: -68.618
Base-Backbone interact. energy: 1.350
local terms energy: -85.724616
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -234.843690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.843690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.843690 (E_RNA)
where:
Base-Base interactions energy: -141.667
where: short stacking energy: -81.897
Base-Backbone interact. energy: -0.571
local terms energy: -92.605910
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -222.540136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.540136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.540136 (E_RNA)
where:
Base-Base interactions energy: -141.958
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.011
local terms energy: -80.570692
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -207.632339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.632339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.632339 (E_RNA)
where:
Base-Base interactions energy: -128.995
where: short stacking energy: -61.158
Base-Backbone interact. energy: 2.209
local terms energy: -80.846611
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -12.965
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: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -205.355764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.355764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.355764 (E_RNA)
where:
Base-Base interactions energy: -123.274
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.055
local terms energy: -82.027289
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -202.587750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.587750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.587750 (E_RNA)
where:
Base-Base interactions energy: -125.428
where: short stacking energy: -62.696
Base-Backbone interact. energy: -0.441
local terms energy: -76.719086
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -17.083
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: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -197.695458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.695458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.695458 (E_RNA)
where:
Base-Base interactions energy: -123.904
where: short stacking energy: -54.435
Base-Backbone interact. energy: -0.090
local terms energy: -73.701339
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.792
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: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -170.224001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.224001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.224001 (E_RNA)
where:
Base-Base interactions energy: -109.794
where: short stacking energy: -44.360
Base-Backbone interact. energy: -0.114
local terms energy: -60.316835
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -10.862
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: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -95.090146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.090146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.090146 (E_RNA)
where:
Base-Base interactions energy: -44.624
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.818
local terms energy: -49.648137
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.820
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: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -88.113046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.113046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.113046 (E_RNA)
where:
Base-Base interactions energy: -21.708
where: short stacking energy: -11.929
Base-Backbone interact. energy: -0.372
local terms energy: -66.032604
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -0.862
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: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -227.378192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.378192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.378192 (E_RNA)
where:
Base-Base interactions energy: -139.168
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.158
local terms energy: -88.051819
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -262.761986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.761986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.761986 (E_RNA)
where:
Base-Base interactions energy: -169.548
where: short stacking energy: -69.640
Base-Backbone interact. energy: -0.277
local terms energy: -92.936552
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -213.642098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.642098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.642098 (E_RNA)
where:
Base-Base interactions energy: -130.093
where: short stacking energy: -65.321
Base-Backbone interact. energy: -0.461
local terms energy: -83.088372
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -207.840570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.840570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.840570 (E_RNA)
where:
Base-Base interactions energy: -130.763
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.019
local terms energy: -77.059090
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -13.325
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: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -203.648498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648498 (E_RNA)
where:
Base-Base interactions energy: -131.357
where: short stacking energy: -56.321
Base-Backbone interact. energy: -0.678
local terms energy: -71.613366
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.238
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: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -205.614267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.614267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.614267 (E_RNA)
where:
Base-Base interactions energy: -126.236
where: short stacking energy: -65.736
Base-Backbone interact. energy: -0.148
local terms energy: -79.229954
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -181.176854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.176854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.176854 (E_RNA)
where:
Base-Base interactions energy: -110.596
where: short stacking energy: -56.385
Base-Backbone interact. energy: -0.527
local terms energy: -70.054504
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -169.392668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.392668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.392668 (E_RNA)
where:
Base-Base interactions energy: -101.642
where: short stacking energy: -55.432
Base-Backbone interact. energy: -0.005
local terms energy: -67.745340
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -15.973
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: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -97.781755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.781755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.781755 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -25.305
Base-Backbone interact. energy: -0.459
local terms energy: -57.359880
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -7.772
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: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -88.060435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.060435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.060435 (E_RNA)
where:
Base-Base interactions energy: -26.182
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.003
local terms energy: -61.875127
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -228.697778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.697778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.697778 (E_RNA)
where:
Base-Base interactions energy: -144.072
where: short stacking energy: -75.725
Base-Backbone interact. energy: -0.001
local terms energy: -84.624562
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -227.171873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.171873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.171873 (E_RNA)
where:
Base-Base interactions energy: -152.011
where: short stacking energy: -78.149
Base-Backbone interact. energy: 0.012
local terms energy: -75.172998
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -1.786
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -250.798030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.798030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.798030 (E_RNA)
where:
Base-Base interactions energy: -173.927
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.274
local terms energy: -76.597479
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -8.318
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: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -215.476720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.476720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.476720 (E_RNA)
where:
Base-Base interactions energy: -132.525
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.835
local terms energy: -82.116794
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -191.926253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.926253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.926253 (E_RNA)
where:
Base-Base interactions energy: -122.770
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.104
local terms energy: -69.052704
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -7.459
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -14.895
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: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -196.631877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.631877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.631877 (E_RNA)
where:
Base-Base interactions energy: -129.332
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.025
local terms energy: -67.274124
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -176.528715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.528715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.528715 (E_RNA)
where:
Base-Base interactions energy: -109.881
where: short stacking energy: -47.890
Base-Backbone interact. energy: -0.141
local terms energy: -66.506446
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -170.502832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.502832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.502832 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.200
local terms energy: -62.024829
where:
bonds (distance) C4'-P energy: -4.794
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -8.637
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: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -91.371096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.371096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.371096 (E_RNA)
where:
Base-Base interactions energy: -33.275
where: short stacking energy: -33.264
Base-Backbone interact. energy: -0.981
local terms energy: -57.115236
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -88.360631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.360631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.360631 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -34.327
Base-Backbone interact. energy: -0.665
local terms energy: -42.763463
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: 3.801
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: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -220.805567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.805567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.805567 (E_RNA)
where:
Base-Base interactions energy: -135.065
where: short stacking energy: -71.435
Base-Backbone interact. energy: -0.028
local terms energy: -85.712449
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -217.557733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.557733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.557733 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.013
local terms energy: -83.177478
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -218.091301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.091301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.091301 (E_RNA)
where:
Base-Base interactions energy: -137.589
where: short stacking energy: -73.650
Base-Backbone interact. energy: -0.010
local terms energy: -80.492577
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -9.677
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: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -260.873502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.873502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.873502 (E_RNA)
where:
Base-Base interactions energy: -187.114
where: short stacking energy: -72.011
Base-Backbone interact. energy: -0.307
local terms energy: -73.452767
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -18.628
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: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -201.527894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.527894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.527894 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -57.306
Base-Backbone interact. energy: -1.265
local terms energy: -75.689668
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -198.489844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.489844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.489844 (E_RNA)
where:
Base-Base interactions energy: -127.824
where: short stacking energy: -66.601
Base-Backbone interact. energy: -0.207
local terms energy: -70.459415
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -16.147
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: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -154.551184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.551184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.551184 (E_RNA)
where:
Base-Base interactions energy: -93.006
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.067
local terms energy: -61.478796
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -173.776667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.776667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.776667 (E_RNA)
where:
Base-Base interactions energy: -107.346
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.136
local terms energy: -66.294155
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -91.012441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.012441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.012441 (E_RNA)
where:
Base-Base interactions energy: -26.075
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.031
local terms energy: -64.906488
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -13.792
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: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -92.921883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.921883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.921883 (E_RNA)
where:
Base-Base interactions energy: -45.183
where: short stacking energy: -36.236
Base-Backbone interact. energy: -0.230
local terms energy: -47.508690
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -1.207
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -226.578617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.578617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.578617 (E_RNA)
where:
Base-Base interactions energy: -141.099
where: short stacking energy: -69.856
Base-Backbone interact. energy: -0.191
local terms energy: -85.288313
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -18.790
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: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -217.673847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.673847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.673847 (E_RNA)
where:
Base-Base interactions energy: -135.126
where: short stacking energy: -66.624
Base-Backbone interact. energy: -0.287
local terms energy: -82.260998
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -221.101616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101616 (E_RNA)
where:
Base-Base interactions energy: -140.241
where: short stacking energy: -75.302
Base-Backbone interact. energy: -0.098
local terms energy: -80.762383
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -251.873589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.873589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.873589 (E_RNA)
where:
Base-Base interactions energy: -172.565
where: short stacking energy: -66.806
Base-Backbone interact. energy: -0.403
local terms energy: -78.905574
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -17.072
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: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -197.813573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.813573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.813573 (E_RNA)
where:
Base-Base interactions energy: -135.598
where: short stacking energy: -64.649
Base-Backbone interact. energy: -0.265
local terms energy: -61.950246
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -182.875780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.875780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.875780 (E_RNA)
where:
Base-Base interactions energy: -117.773
where: short stacking energy: -51.165
Base-Backbone interact. energy: 0.186
local terms energy: -65.288393
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -179.925868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.925868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.925868 (E_RNA)
where:
Base-Base interactions energy: -114.415
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.563
local terms energy: -64.947828
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -12.550
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: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -174.526329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.526329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.526329 (E_RNA)
where:
Base-Base interactions energy: -106.545
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.399
local terms energy: -67.582140
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -88.598614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598614 (E_RNA)
where:
Base-Base interactions energy: -36.407
where: short stacking energy: -35.606
Base-Backbone interact. energy: -0.096
local terms energy: -52.095359
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -83.010322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.010322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.010322 (E_RNA)
where:
Base-Base interactions energy: -30.214
where: short stacking energy: -18.974
Base-Backbone interact. energy: -0.492
local terms energy: -52.304243
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -7.111
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: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -232.787036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.787036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.787036 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -76.582
Base-Backbone interact. energy: -0.513
local terms energy: -89.243652
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -206.644779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.644779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.644779 (E_RNA)
where:
Base-Base interactions energy: -126.953
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.247
local terms energy: -79.445374
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -254.079679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.079679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.079679 (E_RNA)
where:
Base-Base interactions energy: -171.256
where: short stacking energy: -72.109
Base-Backbone interact. energy: -0.510
local terms energy: -82.313788
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -213.107110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.107110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.107110 (E_RNA)
where:
Base-Base interactions energy: -135.617
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.599
local terms energy: -76.891443
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -206.358692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.358692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358692 (E_RNA)
where:
Base-Base interactions energy: -129.840
where: short stacking energy: -63.356
Base-Backbone interact. energy: -1.207
local terms energy: -75.311264
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -203.925821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.925821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.925821 (E_RNA)
where:
Base-Base interactions energy: -125.659
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.132
local terms energy: -78.134730
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -10.971
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: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -195.722326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.722326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.722326 (E_RNA)
where:
Base-Base interactions energy: -118.142
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.396
local terms energy: -77.184121
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -187.441535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.441535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.441535 (E_RNA)
where:
Base-Base interactions energy: -115.435
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.059
local terms energy: -71.947959
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -11.254
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: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -106.576042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.576042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.576042 (E_RNA)
where:
Base-Base interactions energy: -46.785
where: short stacking energy: -20.977
Base-Backbone interact. energy: -0.319
local terms energy: -59.471856
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: 0.460
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: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -82.466019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466019 (E_RNA)
where:
Base-Base interactions energy: -27.495
where: short stacking energy: -26.551
Base-Backbone interact. energy: 0.421
local terms energy: -55.391598
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -2.137
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -231.355045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.355045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.355045 (E_RNA)
where:
Base-Base interactions energy: -143.596
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.025
local terms energy: -87.734348
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -19.232
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: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -259.350756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.350756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.350756 (E_RNA)
where:
Base-Base interactions energy: -173.325
where: short stacking energy: -69.517
Base-Backbone interact. energy: -0.487
local terms energy: -85.538326
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -206.208596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.208596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.208596 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -67.487
Base-Backbone interact. energy: 0.007
local terms energy: -69.620216
where:
bonds (distance) C4'-P energy: -7.200
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -200.623946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.623946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.623946 (E_RNA)
where:
Base-Base interactions energy: -125.551
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.110
local terms energy: -74.962111
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -177.662726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.662726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.662726 (E_RNA)
where:
Base-Base interactions energy: -105.121
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.119
local terms energy: -72.423316
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -13.405
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: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -180.726549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.726549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.726549 (E_RNA)
where:
Base-Base interactions energy: -112.576
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.027
local terms energy: -68.123110
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -10.122
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: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -185.720635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.720635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.720635 (E_RNA)
where:
Base-Base interactions energy: -113.161
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.114
local terms energy: -72.446108
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -12.235
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: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -195.054266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.054266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.054266 (E_RNA)
where:
Base-Base interactions energy: -130.766
where: short stacking energy: -71.231
Base-Backbone interact. energy: -0.003
local terms energy: -64.285065
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -93.997021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.997021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.997021 (E_RNA)
where:
Base-Base interactions energy: -35.483
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.212
local terms energy: -58.301988
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.420
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: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -111.892712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.892712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.892712 (E_RNA)
where:
Base-Base interactions energy: -60.406
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.140
local terms energy: -51.346643
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -267.438218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.438218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.438218 (E_RNA)
where:
Base-Base interactions energy: -176.593
where: short stacking energy: -73.956
Base-Backbone interact. energy: -0.812
local terms energy: -90.032788
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -22.221
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: 254
Temperature: 0.950000
Total energy: -224.609757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.609757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.609757 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -73.502
Base-Backbone interact. energy: -1.385
local terms energy: -85.285969
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -225.697755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.697755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.697755 (E_RNA)
where:
Base-Base interactions energy: -143.084
where: short stacking energy: -82.079
Base-Backbone interact. energy: -0.012
local terms energy: -82.601669
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -207.646697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.646697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.646697 (E_RNA)
where:
Base-Base interactions energy: -123.952
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.099
local terms energy: -83.595678
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -19.201
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: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -223.612704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612704 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -70.374
Base-Backbone interact. energy: -0.647
local terms energy: -72.610428
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -179.759435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.759435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.759435 (E_RNA)
where:
Base-Base interactions energy: -109.081
where: short stacking energy: -55.316
Base-Backbone interact. energy: 0.247
local terms energy: -70.925519
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -8.719
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: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -189.017910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.017910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.017910 (E_RNA)
where:
Base-Base interactions energy: -111.384
where: short stacking energy: -49.796
Base-Backbone interact. energy: -1.045
local terms energy: -76.589732
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -11.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -161.390099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.390099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.390099 (E_RNA)
where:
Base-Base interactions energy: -91.487
where: short stacking energy: -46.353
Base-Backbone interact. energy: -0.412
local terms energy: -69.490677
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -98.336332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.336332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.336332 (E_RNA)
where:
Base-Base interactions energy: -38.949
where: short stacking energy: -36.195
Base-Backbone interact. energy: -0.273
local terms energy: -59.114622
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -83.085110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.085110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.085110 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -22.960
Base-Backbone interact. energy: 1.517
local terms energy: -43.882615
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: 3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -271.051548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.051548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.051548 (E_RNA)
where:
Base-Base interactions energy: -183.968
where: short stacking energy: -79.653
Base-Backbone interact. energy: 0.160
local terms energy: -87.244258
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -220.175018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.175018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.175018 (E_RNA)
where:
Base-Base interactions energy: -136.333
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.186
local terms energy: -83.655748
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -8.979
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: 255
Temperature: 1.000000
Total energy: -223.455023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.455023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.455023 (E_RNA)
where:
Base-Base interactions energy: -142.055
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.715
local terms energy: -80.684928
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -218.147660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.147660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.147660 (E_RNA)
where:
Base-Base interactions energy: -131.875
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.003
local terms energy: -86.269711
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -12.927
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: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -214.888124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.888124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.888124 (E_RNA)
where:
Base-Base interactions energy: -145.357
where: short stacking energy: -67.404
Base-Backbone interact. energy: -0.521
local terms energy: -69.010374
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -11.194
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: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -191.288791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.288791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.288791 (E_RNA)
where:
Base-Base interactions energy: -116.941
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.379
local terms energy: -73.968045
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -15.957
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: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -182.848717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.848717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.848717 (E_RNA)
where:
Base-Base interactions energy: -114.591
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.308
local terms energy: -67.950090
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -182.617326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.617326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.617326 (E_RNA)
where:
Base-Base interactions energy: -113.341
where: short stacking energy: -48.210
Base-Backbone interact. energy: -0.028
local terms energy: -69.248298
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -91.888450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.888450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.888450 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -29.117
Base-Backbone interact. energy: -0.221
local terms energy: -58.884053
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -0.403
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: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -93.179406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.179406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.179406 (E_RNA)
where:
Base-Base interactions energy: -42.211
where: short stacking energy: -33.626
Base-Backbone interact. energy: -0.158
local terms energy: -50.809948
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: 1.033
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -263.252722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.252722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.252722 (E_RNA)
where:
Base-Base interactions energy: -172.488
where: short stacking energy: -80.628
Base-Backbone interact. energy: -0.540
local terms energy: -90.224371
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -234.581307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.581307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.581307 (E_RNA)
where:
Base-Base interactions energy: -138.185
where: short stacking energy: -75.034
Base-Backbone interact. energy: -2.052
local terms energy: -94.343497
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -24.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -214.663701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.663701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.663701 (E_RNA)
where:
Base-Base interactions energy: -134.301
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.306
local terms energy: -80.056913
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -12.955
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -214.560392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.560392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.560392 (E_RNA)
where:
Base-Base interactions energy: -138.761
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.080
local terms energy: -75.719679
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -16.381
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -194.651613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.651613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.651613 (E_RNA)
where:
Base-Base interactions energy: -119.151
where: short stacking energy: -52.838
Base-Backbone interact. energy: -0.222
local terms energy: -75.278658
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -209.337643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.337643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.337643 (E_RNA)
where:
Base-Base interactions energy: -124.540
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.581
local terms energy: -84.216412
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -178.108141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.108141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.108141 (E_RNA)
where:
Base-Base interactions energy: -111.705
where: short stacking energy: -47.029
Base-Backbone interact. energy: 0.535
local terms energy: -66.938816
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -11.368
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: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -170.349271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.349271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.349271 (E_RNA)
where:
Base-Base interactions energy: -102.550
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.012
local terms energy: -67.786645
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -9.291
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: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -95.977838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.977838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.977838 (E_RNA)
where:
Base-Base interactions energy: -32.356
where: short stacking energy: -28.960
Base-Backbone interact. energy: -0.047
local terms energy: -63.574870
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -2.077
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: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -90.450600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.450600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.450600 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -17.923
Base-Backbone interact. energy: -0.243
local terms energy: -55.832940
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: 0.257
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: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -265.246378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.246378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.246378 (E_RNA)
where:
Base-Base interactions energy: -179.303
where: short stacking energy: -69.199
Base-Backbone interact. energy: -0.568
local terms energy: -85.375317
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -233.817818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.817818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.817818 (E_RNA)
where:
Base-Base interactions energy: -150.117
where: short stacking energy: -64.417
Base-Backbone interact. energy: -1.703
local terms energy: -81.997963
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -16.236
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -206.902251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.902251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902251 (E_RNA)
where:
Base-Base interactions energy: -123.424
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.662
local terms energy: -82.816000
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -12.618
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: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -199.561193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.561193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.561193 (E_RNA)
where:
Base-Base interactions energy: -124.559
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.500
local terms energy: -74.502456
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -188.287959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.287959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.287959 (E_RNA)
where:
Base-Base interactions energy: -111.064
where: short stacking energy: -56.879
Base-Backbone interact. energy: -0.316
local terms energy: -76.908091
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -12.591
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: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -202.626615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.626615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.626615 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.636
local terms energy: -74.801887
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -186.921283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.921283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.921283 (E_RNA)
where:
Base-Base interactions energy: -126.460
where: short stacking energy: -51.413
Base-Backbone interact. energy: -0.501
local terms energy: -59.960192
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -9.116
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: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -164.967762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.967762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.967762 (E_RNA)
where:
Base-Base interactions energy: -107.517
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.403
local terms energy: -57.048200
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -99.819256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.819256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.819256 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -27.027
Base-Backbone interact. energy: 0.617
local terms energy: -57.802971
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: 0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -78.653168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.653168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.653168 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.295
local terms energy: -42.044030
where:
bonds (distance) C4'-P energy: -7.853
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -273.596836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.596836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.596836 (E_RNA)
where:
Base-Base interactions energy: -184.731
where: short stacking energy: -67.529
Base-Backbone interact. energy: -1.456
local terms energy: -87.410697
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -23.242
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: 258
Temperature: 0.950000
Total energy: -230.581191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.581191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.581191 (E_RNA)
where:
Base-Base interactions energy: -144.868
where: short stacking energy: -74.299
Base-Backbone interact. energy: -1.111
local terms energy: -84.601400
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -217.665461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.665461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.665461 (E_RNA)
where:
Base-Base interactions energy: -143.179
where: short stacking energy: -77.495
Base-Backbone interact. energy: -0.122
local terms energy: -74.364876
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -204.196371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.196371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.196371 (E_RNA)
where:
Base-Base interactions energy: -122.850
where: short stacking energy: -65.464
Base-Backbone interact. energy: -0.039
local terms energy: -81.307901
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -14.863
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: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -201.834042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.834042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834042 (E_RNA)
where:
Base-Base interactions energy: -124.946
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.358
local terms energy: -76.530039
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -188.398248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.398248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.398248 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.495
local terms energy: -65.889846
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -199.091440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.091440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.091440 (E_RNA)
where:
Base-Base interactions energy: -118.839
where: short stacking energy: -56.762
Base-Backbone interact. energy: 0.147
local terms energy: -80.399386
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -172.899526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.899526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.899526 (E_RNA)
where:
Base-Base interactions energy: -99.153
where: short stacking energy: -49.594
Base-Backbone interact. energy: -0.071
local terms energy: -73.675646
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -87.263289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.263289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.263289 (E_RNA)
where:
Base-Base interactions energy: -35.746
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.102
local terms energy: -51.415113
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -94.360285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.360285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.360285 (E_RNA)
where:
Base-Base interactions energy: -36.904
where: short stacking energy: -34.054
Base-Backbone interact. energy: -0.357
local terms energy: -57.099152
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -10.845
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: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -275.257867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.257867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.257867 (E_RNA)
where:
Base-Base interactions energy: -184.775
where: short stacking energy: -81.065
Base-Backbone interact. energy: -0.489
local terms energy: -89.993754
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -222.869540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.869540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.869540 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.589
local terms energy: -79.841752
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -212.672510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.672510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.672510 (E_RNA)
where:
Base-Base interactions energy: -132.506
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.286
local terms energy: -79.880684
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -208.849710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.849710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.849710 (E_RNA)
where:
Base-Base interactions energy: -120.656
where: short stacking energy: -62.852
Base-Backbone interact. energy: 0.777
local terms energy: -88.970884
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -20.894
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: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -205.947324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.947324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.947324 (E_RNA)
where:
Base-Base interactions energy: -124.410
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.118
local terms energy: -81.419633
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -201.208516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.208516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.208516 (E_RNA)
where:
Base-Base interactions energy: -135.487
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.337
local terms energy: -65.384694
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.867
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: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -181.954031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.954031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.954031 (E_RNA)
where:
Base-Base interactions energy: -110.933
where: short stacking energy: -45.620
Base-Backbone interact. energy: -0.760
local terms energy: -70.260814
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -13.138
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: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -159.570948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.570948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.570948 (E_RNA)
where:
Base-Base interactions energy: -102.564
where: short stacking energy: -44.932
Base-Backbone interact. energy: -0.077
local terms energy: -56.929851
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -3.771
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: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -85.183998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.183998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.183998 (E_RNA)
where:
Base-Base interactions energy: -20.738
where: short stacking energy: -19.816
Base-Backbone interact. energy: -0.169
local terms energy: -64.276828
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: 2.986
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: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -99.285369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.285369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.285369 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -21.324
Base-Backbone interact. energy: 1.859
local terms energy: -48.715153
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -7.984
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: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -272.920744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.920744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.920744 (E_RNA)
where:
Base-Base interactions energy: -184.532
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.803
local terms energy: -87.585907
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -225.900511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.900511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.900511 (E_RNA)
where:
Base-Base interactions energy: -148.833
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.681
local terms energy: -76.386802
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -234.099204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.099204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.099204 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -72.438
Base-Backbone interact. energy: -0.002
local terms energy: -87.217567
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -207.078308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.078308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.078308 (E_RNA)
where:
Base-Base interactions energy: -127.344
where: short stacking energy: -65.804
Base-Backbone interact. energy: -0.305
local terms energy: -79.428636
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -15.800
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: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -213.319036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.319036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.319036 (E_RNA)
where:
Base-Base interactions energy: -135.315
where: short stacking energy: -62.600
Base-Backbone interact. energy: -0.069
local terms energy: -77.934457
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -15.641
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: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -190.236654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.236654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.236654 (E_RNA)
where:
Base-Base interactions energy: -117.999
where: short stacking energy: -59.434
Base-Backbone interact. energy: 0.402
local terms energy: -72.638775
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -11.992
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: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -181.489322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.489322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.489322 (E_RNA)
where:
Base-Base interactions energy: -110.539
where: short stacking energy: -48.304
Base-Backbone interact. energy: -0.448
local terms energy: -70.502470
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -186.439430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.439430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.439430 (E_RNA)
where:
Base-Base interactions energy: -116.933
where: short stacking energy: -45.692
Base-Backbone interact. energy: 0.434
local terms energy: -69.940438
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -8.771
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: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -95.189844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.189844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.189844 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -25.034
Base-Backbone interact. energy: -0.009
local terms energy: -63.952017
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -4.666
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: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -96.386341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.386341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.386341 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -37.617
Base-Backbone interact. energy: -0.330
local terms energy: -55.069563
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -271.989184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.989184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.989184 (E_RNA)
where:
Base-Base interactions energy: -184.726
where: short stacking energy: -74.405
Base-Backbone interact. energy: 1.243
local terms energy: -88.506835
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -11.676
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: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -214.326734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.326734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.326734 (E_RNA)
where:
Base-Base interactions energy: -142.624
where: short stacking energy: -61.999
Base-Backbone interact. energy: -1.603
local terms energy: -70.099927
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -220.713460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.713460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.713460 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.322
local terms energy: -87.943540
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -11.766
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: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -211.287493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.287493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.287493 (E_RNA)
where:
Base-Base interactions energy: -133.110
where: short stacking energy: -65.654
Base-Backbone interact. energy: -0.073
local terms energy: -78.105151
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -17.647
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: 261
Temperature: 1.100000
Total energy: -203.434453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.434453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.434453 (E_RNA)
where:
Base-Base interactions energy: -127.696
where: short stacking energy: -57.577
Base-Backbone interact. energy: 1.057
local terms energy: -76.795924
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -180.799925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.799925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.799925 (E_RNA)
where:
Base-Base interactions energy: -108.542
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.146
local terms energy: -72.112497
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -184.062622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.062622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.062622 (E_RNA)
where:
Base-Base interactions energy: -112.655
where: short stacking energy: -52.196
Base-Backbone interact. energy: -0.448
local terms energy: -70.959414
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -12.695
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: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -181.910408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.910408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.910408 (E_RNA)
where:
Base-Base interactions energy: -108.979
where: short stacking energy: -48.561
Base-Backbone interact. energy: -0.035
local terms energy: -72.896116
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -91.368942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.368942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.368942 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.276
local terms energy: -60.007098
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -0.466
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: 261
Temperature: 1.350000
Total energy: -113.474153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.474153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.474153 (E_RNA)
where:
Base-Base interactions energy: -50.448
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.196
local terms energy: -62.829920
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -224.753442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.753442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.753442 (E_RNA)
where:
Base-Base interactions energy: -143.338
where: short stacking energy: -73.148
Base-Backbone interact. energy: -0.044
local terms energy: -81.371483
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -258.922627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.922627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.922627 (E_RNA)
where:
Base-Base interactions energy: -169.639
where: short stacking energy: -76.447
Base-Backbone interact. energy: -0.541
local terms energy: -88.742910
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -213.250160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.250160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.250160 (E_RNA)
where:
Base-Base interactions energy: -139.587
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.140
local terms energy: -73.523102
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -16.443
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: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -201.372144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.372144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.372144 (E_RNA)
where:
Base-Base interactions energy: -124.404
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.514
local terms energy: -76.453318
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -12.802
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: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -201.088058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.088058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.088058 (E_RNA)
where:
Base-Base interactions energy: -120.759
where: short stacking energy: -58.971
Base-Backbone interact. energy: 0.893
local terms energy: -81.222062
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -18.490
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: 262
Temperature: 1.150000
Total energy: -210.605369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.605369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.605369 (E_RNA)
where:
Base-Base interactions energy: -133.019
where: short stacking energy: -64.061
Base-Backbone interact. energy: -1.412
local terms energy: -76.174372
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -186.623973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.623973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.623973 (E_RNA)
where:
Base-Base interactions energy: -120.224
where: short stacking energy: -49.181
Base-Backbone interact. energy: -0.015
local terms energy: -66.384948
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: 0.624
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -168.704057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.704057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.704057 (E_RNA)
where:
Base-Base interactions energy: -104.866
where: short stacking energy: -43.210
Base-Backbone interact. energy: -0.853
local terms energy: -62.984953
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -5.770
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: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -91.701726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.701726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.701726 (E_RNA)
where:
Base-Base interactions energy: -28.156
where: short stacking energy: -24.358
Base-Backbone interact. energy: -0.154
local terms energy: -63.392303
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -13.459
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: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -108.522054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.522054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.522054 (E_RNA)
where:
Base-Base interactions energy: -50.573
where: short stacking energy: -30.328
Base-Backbone interact. energy: -0.559
local terms energy: -57.389670
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -220.803793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.803793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803793 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.158
local terms energy: -82.650765
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -18.635
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: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -260.694554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.694554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.694554 (E_RNA)
where:
Base-Base interactions energy: -174.931
where: short stacking energy: -63.999
Base-Backbone interact. energy: 0.119
local terms energy: -85.882327
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -17.809
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -209.517540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.517540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.517540 (E_RNA)
where:
Base-Base interactions energy: -130.191
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.310
local terms energy: -79.017000
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -200.664213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.664213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.664213 (E_RNA)
where:
Base-Base interactions energy: -112.552
where: short stacking energy: -52.987
Base-Backbone interact. energy: -1.388
local terms energy: -86.724792
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -206.748226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.748226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.748226 (E_RNA)
where:
Base-Base interactions energy: -124.067
where: short stacking energy: -57.913
Base-Backbone interact. energy: -0.381
local terms energy: -82.300072
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -195.044468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.044468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.044468 (E_RNA)
where:
Base-Base interactions energy: -123.595
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.003
local terms energy: -71.447441
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -180.028945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.028945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.028945 (E_RNA)
where:
Base-Base interactions energy: -102.963
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.373
local terms energy: -76.692782
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -10.473
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: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -153.420165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.420165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.420165 (E_RNA)
where:
Base-Base interactions energy: -88.264
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.388
local terms energy: -64.768627
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -4.680
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: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -108.055291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.055291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.055291 (E_RNA)
where:
Base-Base interactions energy: -43.664
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.387
local terms energy: -64.004906
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.881
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: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -84.558300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.558300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.558300 (E_RNA)
where:
Base-Base interactions energy: -27.761
where: short stacking energy: -27.615
Base-Backbone interact. energy: 1.161
local terms energy: -57.957660
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -266.198434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.198434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.198434 (E_RNA)
where:
Base-Base interactions energy: -180.322
where: short stacking energy: -74.193
Base-Backbone interact. energy: -0.633
local terms energy: -85.242830
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -22.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -218.627977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.627977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.627977 (E_RNA)
where:
Base-Base interactions energy: -135.433
where: short stacking energy: -74.823
Base-Backbone interact. energy: -0.251
local terms energy: -82.943835
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -218.393679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.393679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.393679 (E_RNA)
where:
Base-Base interactions energy: -141.825
where: short stacking energy: -68.179
Base-Backbone interact. energy: 0.225
local terms energy: -76.793428
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -9.687
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: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -211.301104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.301104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.301104 (E_RNA)
where:
Base-Base interactions energy: -125.223
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.161
local terms energy: -85.917365
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -192.467839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.467839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467839 (E_RNA)
where:
Base-Base interactions energy: -124.535
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.359
local terms energy: -67.573679
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -194.843755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.843755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.843755 (E_RNA)
where:
Base-Base interactions energy: -128.036
where: short stacking energy: -55.294
Base-Backbone interact. energy: 0.152
local terms energy: -66.960068
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -170.083098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.083098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.083098 (E_RNA)
where:
Base-Base interactions energy: -108.528
where: short stacking energy: -56.713
Base-Backbone interact. energy: 0.641
local terms energy: -62.196280
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -178.752180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.752180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.752180 (E_RNA)
where:
Base-Base interactions energy: -115.017
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.002
local terms energy: -63.733070
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -3.759
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: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -89.827688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.827688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.827688 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.141
local terms energy: -59.675957
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -16.274
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: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -143.397994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.397994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.397994 (E_RNA)
where:
Base-Base interactions energy: -80.407
where: short stacking energy: -38.049
Base-Backbone interact. energy: -0.266
local terms energy: -62.725188
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -269.488304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.488304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.488304 (E_RNA)
where:
Base-Base interactions energy: -181.702
where: short stacking energy: -64.915
Base-Backbone interact. energy: 0.782
local terms energy: -88.567809
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -232.735747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.735747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.735747 (E_RNA)
where:
Base-Base interactions energy: -148.128
where: short stacking energy: -85.574
Base-Backbone interact. energy: -0.012
local terms energy: -84.596343
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -212.008735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.008735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.008735 (E_RNA)
where:
Base-Base interactions energy: -126.557
where: short stacking energy: -56.335
Base-Backbone interact. energy: -0.176
local terms energy: -85.275580
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -208.958667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.958667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.958667 (E_RNA)
where:
Base-Base interactions energy: -128.167
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.038
local terms energy: -80.754247
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -198.909724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.909724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.909724 (E_RNA)
where:
Base-Base interactions energy: -122.167
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.291
local terms energy: -76.451208
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.865
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: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -173.326899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.326899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.326899 (E_RNA)
where:
Base-Base interactions energy: -108.298
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.235
local terms energy: -64.793257
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -193.832934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.832934 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.247
local terms energy: -63.537707
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -193.571386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.571386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.571386 (E_RNA)
where:
Base-Base interactions energy: -119.750
where: short stacking energy: -52.853
Base-Backbone interact. energy: -0.838
local terms energy: -72.982417
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -93.922764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.922764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.922764 (E_RNA)
where:
Base-Base interactions energy: -36.633
where: short stacking energy: -32.072
Base-Backbone interact. energy: 1.281
local terms energy: -58.570006
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -9.067
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: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -143.693507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.693507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.693507 (E_RNA)
where:
Base-Base interactions energy: -86.594
where: short stacking energy: -39.090
Base-Backbone interact. energy: -0.401
local terms energy: -56.699447
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -238.590355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.590355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.590355 (E_RNA)
where:
Base-Base interactions energy: -152.722
where: short stacking energy: -80.482
Base-Backbone interact. energy: 0.171
local terms energy: -86.038901
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -12.722
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -261.876969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.876969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.876969 (E_RNA)
where:
Base-Base interactions energy: -172.201
where: short stacking energy: -58.450
Base-Backbone interact. energy: 0.842
local terms energy: -90.518044
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -222.262790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.262790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.262790 (E_RNA)
where:
Base-Base interactions energy: -137.382
where: short stacking energy: -63.450
Base-Backbone interact. energy: -0.648
local terms energy: -84.232445
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -12.944
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: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -202.917263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.917263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.917263 (E_RNA)
where:
Base-Base interactions energy: -127.883
where: short stacking energy: -62.308
Base-Backbone interact. energy: -1.352
local terms energy: -73.681621
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -193.069290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.069290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.069290 (E_RNA)
where:
Base-Base interactions energy: -116.536
where: short stacking energy: -53.233
Base-Backbone interact. energy: -0.060
local terms energy: -76.472950
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -9.095
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: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -183.104480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.104480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.104480 (E_RNA)
where:
Base-Base interactions energy: -107.993
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.385
local terms energy: -74.726962
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -10.639
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: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -189.661719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.661719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.661719 (E_RNA)
where:
Base-Base interactions energy: -114.102
where: short stacking energy: -58.651
Base-Backbone interact. energy: -2.970
local terms energy: -72.589685
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -12.557
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: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -186.048137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.048137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.048137 (E_RNA)
where:
Base-Base interactions energy: -119.952
where: short stacking energy: -49.717
Base-Backbone interact. energy: -0.099
local terms energy: -65.997178
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -10.620
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: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -107.114207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.114207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.114207 (E_RNA)
where:
Base-Base interactions energy: -55.666
where: short stacking energy: -27.072
Base-Backbone interact. energy: -0.049
local terms energy: -51.399542
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: 1.257
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: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -89.946477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.946477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.946477 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -30.887
Base-Backbone interact. energy: -0.880
local terms energy: -56.623936
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -0.816
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: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -223.547259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.547259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.547259 (E_RNA)
where:
Base-Base interactions energy: -145.506
where: short stacking energy: -64.518
Base-Backbone interact. energy: -0.177
local terms energy: -77.863666
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -267.777600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.777600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.777600 (E_RNA)
where:
Base-Base interactions energy: -184.247
where: short stacking energy: -70.826
Base-Backbone interact. energy: 1.899
local terms energy: -85.429580
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -213.625609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.625609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.625609 (E_RNA)
where:
Base-Base interactions energy: -132.735
where: short stacking energy: -59.210
Base-Backbone interact. energy: -0.881
local terms energy: -80.009249
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -11.361
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: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -209.246325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.246325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.246325 (E_RNA)
where:
Base-Base interactions energy: -125.247
where: short stacking energy: -63.913
Base-Backbone interact. energy: -0.281
local terms energy: -83.718954
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -213.596455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.596455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.596455 (E_RNA)
where:
Base-Base interactions energy: -130.484
where: short stacking energy: -66.011
Base-Backbone interact. energy: -1.174
local terms energy: -81.939114
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -17.905
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: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -196.715625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.715625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.715625 (E_RNA)
where:
Base-Base interactions energy: -128.448
where: short stacking energy: -72.305
Base-Backbone interact. energy: -0.049
local terms energy: -68.218572
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -199.283074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.283074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.283074 (E_RNA)
where:
Base-Base interactions energy: -129.101
where: short stacking energy: -56.767
Base-Backbone interact. energy: 0.227
local terms energy: -70.409129
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -181.380216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.380216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.380216 (E_RNA)
where:
Base-Base interactions energy: -112.304
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.043
local terms energy: -69.032810
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -13.866
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: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -88.177847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.177847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.177847 (E_RNA)
where:
Base-Base interactions energy: -36.568
where: short stacking energy: -29.179
Base-Backbone interact. energy: 0.255
local terms energy: -51.865104
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: 4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -75.472230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.472230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.472230 (E_RNA)
where:
Base-Base interactions energy: -21.328
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.279
local terms energy: -53.865683
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: 2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -265.801306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.801306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.801306 (E_RNA)
where:
Base-Base interactions energy: -181.597
where: short stacking energy: -74.828
Base-Backbone interact. energy: 1.529
local terms energy: -85.733702
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -216.421161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.421161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.421161 (E_RNA)
where:
Base-Base interactions energy: -133.687
where: short stacking energy: -66.064
Base-Backbone interact. energy: -1.531
local terms energy: -81.202585
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -18.471
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: 268
Temperature: 1.000000
Total energy: -210.513633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.513633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.513633 (E_RNA)
where:
Base-Base interactions energy: -132.204
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.071
local terms energy: -78.238982
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -9.213
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: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -205.868936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.868936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.868936 (E_RNA)
where:
Base-Base interactions energy: -122.714
where: short stacking energy: -60.626
Base-Backbone interact. energy: 0.948
local terms energy: -84.102701
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -196.352434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.352434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.352434 (E_RNA)
where:
Base-Base interactions energy: -122.028
where: short stacking energy: -63.162
Base-Backbone interact. energy: -0.024
local terms energy: -74.299844
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -191.384917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.384917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.384917 (E_RNA)
where:
Base-Base interactions energy: -116.911
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.732
local terms energy: -73.742285
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -185.290357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.290357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.290357 (E_RNA)
where:
Base-Base interactions energy: -123.373
where: short stacking energy: -65.206
Base-Backbone interact. energy: -0.024
local terms energy: -61.892755
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -180.345952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.345952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.345952 (E_RNA)
where:
Base-Base interactions energy: -114.200
where: short stacking energy: -52.259
Base-Backbone interact. energy: -1.081
local terms energy: -65.065827
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -93.312239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.312239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.312239 (E_RNA)
where:
Base-Base interactions energy: -43.688
where: short stacking energy: -22.193
Base-Backbone interact. energy: -0.788
local terms energy: -48.836236
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: 5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -81.514517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514517 (E_RNA)
where:
Base-Base interactions energy: -33.381
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.907
local terms energy: -47.226743
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -11.658
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: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -269.409537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.409537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.409537 (E_RNA)
where:
Base-Base interactions energy: -181.286
where: short stacking energy: -67.593
Base-Backbone interact. energy: 0.062
local terms energy: -88.186329
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -21.654
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: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -211.956529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.956529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.956529 (E_RNA)
where:
Base-Base interactions energy: -127.667
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.211
local terms energy: -84.079225
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -16.313
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: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -198.568739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.568739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.568739 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -52.056
Base-Backbone interact. energy: -0.355
local terms energy: -72.748391
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -206.674918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.674918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.674918 (E_RNA)
where:
Base-Base interactions energy: -129.474
where: short stacking energy: -58.147
Base-Backbone interact. energy: -0.047
local terms energy: -77.154334
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -220.471648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.471648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.471648 (E_RNA)
where:
Base-Base interactions energy: -142.844
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.080
local terms energy: -77.547184
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -208.176006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.176006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.176006 (E_RNA)
where:
Base-Base interactions energy: -132.057
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.335
local terms energy: -75.784169
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -179.956388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.956388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956388 (E_RNA)
where:
Base-Base interactions energy: -111.203
where: short stacking energy: -47.300
Base-Backbone interact. energy: 0.343
local terms energy: -69.096580
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -166.481557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.481557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.481557 (E_RNA)
where:
Base-Base interactions energy: -109.142
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.736
local terms energy: -56.604290
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -10.047
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.814
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: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -115.828981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.828981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.828981 (E_RNA)
where:
Base-Base interactions energy: -63.691
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.361
local terms energy: -51.777323
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -0.919
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: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -81.103933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.103933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.103933 (E_RNA)
where:
Base-Base interactions energy: -24.479
where: short stacking energy: -23.044
Base-Backbone interact. energy: -0.293
local terms energy: -56.331680
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: 4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -269.126080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.126080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.126080 (E_RNA)
where:
Base-Base interactions energy: -177.060
where: short stacking energy: -71.938
Base-Backbone interact. energy: -0.480
local terms energy: -91.586023
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -21.747
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: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -209.353050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.353050 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.594
local terms energy: -75.706396
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -7.789
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -211.951468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.951468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.951468 (E_RNA)
where:
Base-Base interactions energy: -134.310
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.121
local terms energy: -77.520878
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -12.692
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -188.377595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.377595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.377595 (E_RNA)
where:
Base-Base interactions energy: -117.199
where: short stacking energy: -53.253
Base-Backbone interact. energy: 1.384
local terms energy: -72.562575
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -212.975756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.975756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.975756 (E_RNA)
where:
Base-Base interactions energy: -141.169
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.254
local terms energy: -71.552440
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -9.545
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: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -194.124254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.124254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.124254 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.303
local terms energy: -72.134897
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -8.170
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: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -186.322183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.322183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.322183 (E_RNA)
where:
Base-Base interactions energy: -120.327
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.106
local terms energy: -65.888709
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -8.795
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: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -171.485178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.485178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.485178 (E_RNA)
where:
Base-Base interactions energy: -96.478
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.203
local terms energy: -74.804089
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -14.663
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: 270
Temperature: 1.300000
Total energy: -98.281095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.281095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.281095 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.157
local terms energy: -60.700323
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -6.112
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: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -79.896983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.896983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.896983 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -20.448
Base-Backbone interact. energy: -0.442
local terms energy: -44.435950
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: 4.042
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: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -263.213691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.213691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.213691 (E_RNA)
where:
Base-Base interactions energy: -179.827
where: short stacking energy: -75.843
Base-Backbone interact. energy: -0.804
local terms energy: -82.582720
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -224.455680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.455680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.455680 (E_RNA)
where:
Base-Base interactions energy: -149.502
where: short stacking energy: -64.333
Base-Backbone interact. energy: -0.367
local terms energy: -74.586976
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -15.891
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: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -220.039997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.039997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.039997 (E_RNA)
where:
Base-Base interactions energy: -138.559
where: short stacking energy: -71.409
Base-Backbone interact. energy: -1.105
local terms energy: -80.376196
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -21.323
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: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -224.103901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.103901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.103901 (E_RNA)
where:
Base-Base interactions energy: -138.754
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.017
local terms energy: -85.333397
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -18.855
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: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -205.823976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.823976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.823976 (E_RNA)
where:
Base-Base interactions energy: -129.833
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.271
local terms energy: -75.719969
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -10.891
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: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -192.222454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.222454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.222454 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -62.818
Base-Backbone interact. energy: -0.008
local terms energy: -69.759790
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -196.755082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.755082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.755082 (E_RNA)
where:
Base-Base interactions energy: -121.310
where: short stacking energy: -60.817
Base-Backbone interact. energy: -0.117
local terms energy: -75.327475
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -175.819213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.819213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.819213 (E_RNA)
where:
Base-Base interactions energy: -118.537
where: short stacking energy: -49.618
Base-Backbone interact. energy: -0.825
local terms energy: -56.457951
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -9.467
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: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -99.155425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.155425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.155425 (E_RNA)
where:
Base-Base interactions energy: -43.002
where: short stacking energy: -38.762
Base-Backbone interact. energy: 2.280
local terms energy: -58.433244
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -6.463
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: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -97.573999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.573999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.573999 (E_RNA)
where:
Base-Base interactions energy: -33.107
where: short stacking energy: -33.107
Base-Backbone interact. energy: -0.047
local terms energy: -64.419736
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -2.397
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: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -271.930031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.930031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.930031 (E_RNA)
where:
Base-Base interactions energy: -176.261
where: short stacking energy: -73.096
Base-Backbone interact. energy: -1.248
local terms energy: -94.421246
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -218.101887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.101887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.101887 (E_RNA)
where:
Base-Base interactions energy: -136.163
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.285
local terms energy: -81.654320
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -12.126
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: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -232.912129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.912129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.912129 (E_RNA)
where:
Base-Base interactions energy: -154.504
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.093
local terms energy: -78.314997
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -15.699
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: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -217.243749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.243749 (E_RNA)
where:
Base-Base interactions energy: -135.279
where: short stacking energy: -67.809
Base-Backbone interact. energy: 0.599
local terms energy: -82.562948
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -17.854
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -199.450961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.450961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.450961 (E_RNA)
where:
Base-Base interactions energy: -122.054
where: short stacking energy: -61.788
Base-Backbone interact. energy: -0.389
local terms energy: -77.007707
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.189
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: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -198.604627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.604627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.604627 (E_RNA)
where:
Base-Base interactions energy: -122.965
where: short stacking energy: -61.828
Base-Backbone interact. energy: -0.426
local terms energy: -75.213612
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -12.431
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: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -208.971012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.971012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.971012 (E_RNA)
where:
Base-Base interactions energy: -145.732
where: short stacking energy: -68.204
Base-Backbone interact. energy: -0.054
local terms energy: -63.185085
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -1.797
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -177.289352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.289352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.289352 (E_RNA)
where:
Base-Base interactions energy: -115.188
where: short stacking energy: -54.270
Base-Backbone interact. energy: -0.137
local terms energy: -61.963756
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -104.104380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.104380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.104380 (E_RNA)
where:
Base-Base interactions energy: -47.274
where: short stacking energy: -28.276
Base-Backbone interact. energy: -0.500
local terms energy: -56.330061
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: 2.506
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: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -100.147517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.147517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.147517 (E_RNA)
where:
Base-Base interactions energy: -41.068
where: short stacking energy: -22.526
Base-Backbone interact. energy: -0.525
local terms energy: -58.554233
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -272.610530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.610530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.610530 (E_RNA)
where:
Base-Base interactions energy: -182.203
where: short stacking energy: -76.491
Base-Backbone interact. energy: -0.639
local terms energy: -89.768223
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -22.338
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: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -223.960455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.960455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.960455 (E_RNA)
where:
Base-Base interactions energy: -139.559
where: short stacking energy: -60.223
Base-Backbone interact. energy: -1.450
local terms energy: -82.950981
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -207.061273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.061273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.061273 (E_RNA)
where:
Base-Base interactions energy: -119.483
where: short stacking energy: -62.773
Base-Backbone interact. energy: -0.001
local terms energy: -87.577216
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -211.138687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.138687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.138687 (E_RNA)
where:
Base-Base interactions energy: -130.732
where: short stacking energy: -70.311
Base-Backbone interact. energy: -0.316
local terms energy: -80.089964
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -12.189
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: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -216.648363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648363 (E_RNA)
where:
Base-Base interactions energy: -127.764
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.083
local terms energy: -88.802132
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -192.956476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.956476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.956476 (E_RNA)
where:
Base-Base interactions energy: -127.457
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.296
local terms energy: -65.203647
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -177.812774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.812774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.812774 (E_RNA)
where:
Base-Base interactions energy: -113.232
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.684
local terms energy: -63.897457
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -12.420
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: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -178.335835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335835 (E_RNA)
where:
Base-Base interactions energy: -109.120
where: short stacking energy: -53.250
Base-Backbone interact. energy: -1.243
local terms energy: -67.972526
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -107.981270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.981270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.981270 (E_RNA)
where:
Base-Base interactions energy: -50.486
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.968
local terms energy: -56.527665
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -89.007485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.007485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.007485 (E_RNA)
where:
Base-Base interactions energy: -26.864
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.283
local terms energy: -61.860784
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -265.791167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.791167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.791167 (E_RNA)
where:
Base-Base interactions energy: -180.627
where: short stacking energy: -71.262
Base-Backbone interact. energy: -0.875
local terms energy: -84.289470
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -21.532
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: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -221.549236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.549236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.549236 (E_RNA)
where:
Base-Base interactions energy: -141.680
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.871
local terms energy: -78.998702
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -13.354
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: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -221.055999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.055999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.055999 (E_RNA)
where:
Base-Base interactions energy: -142.492
where: short stacking energy: -69.919
Base-Backbone interact. energy: -0.073
local terms energy: -78.491430
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -12.089
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: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -207.356421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.356421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.356421 (E_RNA)
where:
Base-Base interactions energy: -131.161
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.534
local terms energy: -75.661993
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -201.210022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.210022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.210022 (E_RNA)
where:
Base-Base interactions energy: -126.637
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.665
local terms energy: -73.908599
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -9.978
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: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -195.060111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.060111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.060111 (E_RNA)
where:
Base-Base interactions energy: -125.886
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.210
local terms energy: -68.964171
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -11.214
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: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -196.255988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.255988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.255988 (E_RNA)
where:
Base-Base interactions energy: -120.256
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.016
local terms energy: -75.984076
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -172.757736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.757736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.757736 (E_RNA)
where:
Base-Base interactions energy: -110.266
where: short stacking energy: -51.264
Base-Backbone interact. energy: -0.243
local terms energy: -62.248831
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.437
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: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -93.710807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.710807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.710807 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -31.571
Base-Backbone interact. energy: -0.612
local terms energy: -60.987319
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -10.964
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: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -91.334469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334469 (E_RNA)
where:
Base-Base interactions energy: -28.264
where: short stacking energy: -28.106
Base-Backbone interact. energy: -0.051
local terms energy: -63.019894
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -264.164102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.164102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.164102 (E_RNA)
where:
Base-Base interactions energy: -175.287
where: short stacking energy: -76.073
Base-Backbone interact. energy: -1.091
local terms energy: -87.785855
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -224.296694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.296694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.296694 (E_RNA)
where:
Base-Base interactions energy: -140.351
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.078
local terms energy: -83.867578
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -208.881549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.881549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.881549 (E_RNA)
where:
Base-Base interactions energy: -124.054
where: short stacking energy: -68.562
Base-Backbone interact. energy: -0.099
local terms energy: -84.727787
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -211.148351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.148351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.148351 (E_RNA)
where:
Base-Base interactions energy: -125.889
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.056
local terms energy: -85.203385
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -214.326986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.326986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.326986 (E_RNA)
where:
Base-Base interactions energy: -134.413
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.008
local terms energy: -79.905872
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -194.988443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.988443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.988443 (E_RNA)
where:
Base-Base interactions energy: -128.539
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.061
local terms energy: -66.388633
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -14.018
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -184.502116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.502116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.502116 (E_RNA)
where:
Base-Base interactions energy: -107.665
where: short stacking energy: -57.025
Base-Backbone interact. energy: -0.413
local terms energy: -76.424493
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -15.394
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: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -180.093719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.093719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.093719 (E_RNA)
where:
Base-Base interactions energy: -106.409
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.376
local terms energy: -73.309485
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -88.730533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.730533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.730533 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -21.945
Base-Backbone interact. energy: 0.516
local terms energy: -52.236893
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: 1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -97.559538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.559538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.559538 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.241
local terms energy: -54.184133
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -11.738
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: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -263.421250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.421250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.421250 (E_RNA)
where:
Base-Base interactions energy: -175.534
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.586
local terms energy: -87.301476
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -20.656
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: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -217.600749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.600749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600749 (E_RNA)
where:
Base-Base interactions energy: -131.754
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.183
local terms energy: -85.663223
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -203.011610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011610 (E_RNA)
where:
Base-Base interactions energy: -124.076
where: short stacking energy: -61.000
Base-Backbone interact. energy: -0.005
local terms energy: -78.931274
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -205.855437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.855437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.855437 (E_RNA)
where:
Base-Base interactions energy: -122.263
where: short stacking energy: -56.445
Base-Backbone interact. energy: -0.302
local terms energy: -83.290587
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -14.907
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: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -201.747929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.747929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.747929 (E_RNA)
where:
Base-Base interactions energy: -119.187
where: short stacking energy: -59.627
Base-Backbone interact. energy: -0.621
local terms energy: -81.939723
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -9.878
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: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -199.420680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.420680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.420680 (E_RNA)
where:
Base-Base interactions energy: -125.950
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.443
local terms energy: -73.027699
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -180.024100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.024100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.024100 (E_RNA)
where:
Base-Base interactions energy: -114.885
where: short stacking energy: -52.302
Base-Backbone interact. energy: -0.828
local terms energy: -64.310410
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -9.374
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: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -174.391881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.391881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.391881 (E_RNA)
where:
Base-Base interactions energy: -100.637
where: short stacking energy: -51.148
Base-Backbone interact. energy: -0.478
local terms energy: -73.276552
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -99.580025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.580025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.580025 (E_RNA)
where:
Base-Base interactions energy: -40.140
where: short stacking energy: -15.808
Base-Backbone interact. energy: -0.486
local terms energy: -58.954387
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -14.984
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: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -100.431624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431624 (E_RNA)
where:
Base-Base interactions energy: -51.096
where: short stacking energy: -30.702
Base-Backbone interact. energy: -0.096
local terms energy: -49.239405
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -0.915
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: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -268.953964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.953964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.953964 (E_RNA)
where:
Base-Base interactions energy: -178.612
where: short stacking energy: -76.805
Base-Backbone interact. energy: -0.672
local terms energy: -89.669732
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -218.232781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.232781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.232781 (E_RNA)
where:
Base-Base interactions energy: -134.458
where: short stacking energy: -64.758
Base-Backbone interact. energy: 1.174
local terms energy: -84.949074
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -212.281744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.281744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.281744 (E_RNA)
where:
Base-Base interactions energy: -130.172
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.003
local terms energy: -82.106550
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -14.705
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: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -218.213035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213035 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -69.215
Base-Backbone interact. energy: 0.472
local terms energy: -77.044547
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -203.011972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011972 (E_RNA)
where:
Base-Base interactions energy: -131.763
where: short stacking energy: -68.734
Base-Backbone interact. energy: 0.651
local terms energy: -71.900340
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -192.402739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.402739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.402739 (E_RNA)
where:
Base-Base interactions energy: -120.330
where: short stacking energy: -67.323
Base-Backbone interact. energy: 0.476
local terms energy: -72.548604
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -12.857
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: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -192.787443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.787443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.787443 (E_RNA)
where:
Base-Base interactions energy: -117.998
where: short stacking energy: -51.724
Base-Backbone interact. energy: -0.149
local terms energy: -74.640949
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -165.107776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.107776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.107776 (E_RNA)
where:
Base-Base interactions energy: -107.306
where: short stacking energy: -49.624
Base-Backbone interact. energy: -0.083
local terms energy: -57.719002
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -13.188
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: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -97.603734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.603734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.603734 (E_RNA)
where:
Base-Base interactions energy: -36.773
where: short stacking energy: -29.825
Base-Backbone interact. energy: -0.156
local terms energy: -60.674524
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -2.238
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: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -86.514074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.514074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.514074 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.238
local terms energy: -53.471619
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -258.112836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.112836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.112836 (E_RNA)
where:
Base-Base interactions energy: -171.163
where: short stacking energy: -72.911
Base-Backbone interact. energy: -0.764
local terms energy: -86.186253
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -213.876737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.876737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.876737 (E_RNA)
where:
Base-Base interactions energy: -136.282
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.036
local terms energy: -77.558916
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -208.424311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.424311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.424311 (E_RNA)
where:
Base-Base interactions energy: -125.073
where: short stacking energy: -63.470
Base-Backbone interact. energy: -0.004
local terms energy: -83.347356
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -17.731
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: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -206.975582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.975582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.975582 (E_RNA)
where:
Base-Base interactions energy: -127.590
where: short stacking energy: -65.380
Base-Backbone interact. energy: 0.419
local terms energy: -79.803704
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -12.025
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: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -205.922524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.922524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.922524 (E_RNA)
where:
Base-Base interactions energy: -124.427
where: short stacking energy: -73.946
Base-Backbone interact. energy: -0.088
local terms energy: -81.407688
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -205.884718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884718 (E_RNA)
where:
Base-Base interactions energy: -131.321
where: short stacking energy: -71.839
Base-Backbone interact. energy: -0.695
local terms energy: -73.868389
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -200.872967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.872967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.872967 (E_RNA)
where:
Base-Base interactions energy: -122.253
where: short stacking energy: -62.420
Base-Backbone interact. energy: 0.921
local terms energy: -79.541427
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.406
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: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -181.232525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.232525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.232525 (E_RNA)
where:
Base-Base interactions energy: -120.438
where: short stacking energy: -53.839
Base-Backbone interact. energy: -0.038
local terms energy: -60.756574
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -9.201
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -7.123
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -100.258543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.258543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.258543 (E_RNA)
where:
Base-Base interactions energy: -42.178
where: short stacking energy: -33.890
Base-Backbone interact. energy: 2.796
local terms energy: -60.876513
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -84.789573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789573 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -27.920
Base-Backbone interact. energy: -0.327
local terms energy: -52.859472
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -3.583
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: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -269.469929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.469929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.469929 (E_RNA)
where:
Base-Base interactions energy: -183.419
where: short stacking energy: -72.085
Base-Backbone interact. energy: -1.012
local terms energy: -85.038812
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -13.414
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: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -225.223835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.223835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.223835 (E_RNA)
where:
Base-Base interactions energy: -148.093
where: short stacking energy: -68.911
Base-Backbone interact. energy: 1.050
local terms energy: -78.181256
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -215.528952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.528952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.528952 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.040
local terms energy: -84.771406
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -218.014613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.014613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.014613 (E_RNA)
where:
Base-Base interactions energy: -132.286
where: short stacking energy: -76.375
Base-Backbone interact. energy: -0.883
local terms energy: -84.845679
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -19.770
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: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -209.831097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.831097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.831097 (E_RNA)
where:
Base-Base interactions energy: -131.880
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.676
local terms energy: -77.275382
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -9.259
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: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -193.037576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.037576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.037576 (E_RNA)
where:
Base-Base interactions energy: -120.573
where: short stacking energy: -56.422
Base-Backbone interact. energy: -1.123
local terms energy: -71.341617
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -14.418
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -180.573265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.573265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.573265 (E_RNA)
where:
Base-Base interactions energy: -114.304
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.048
local terms energy: -66.221615
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -144.722448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.722448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.722448 (E_RNA)
where:
Base-Base interactions energy: -90.428
where: short stacking energy: -37.118
Base-Backbone interact. energy: 0.377
local terms energy: -54.671647
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -88.249225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.249225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.249225 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -31.870
Base-Backbone interact. energy: -0.103
local terms energy: -54.413116
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -90.905843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.905843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.905843 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.101
local terms energy: -57.371534
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -15.641
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: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -272.694464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.694464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.694464 (E_RNA)
where:
Base-Base interactions energy: -191.596
where: short stacking energy: -76.411
Base-Backbone interact. energy: -0.555
local terms energy: -80.543678
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -7.450
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: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -230.902852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.902852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.902852 (E_RNA)
where:
Base-Base interactions energy: -148.019
where: short stacking energy: -78.377
Base-Backbone interact. energy: -0.054
local terms energy: -82.829985
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -225.842155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.842155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.842155 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -79.987
Base-Backbone interact. energy: -0.272
local terms energy: -85.028205
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -25.886
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: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -203.568055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.568055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.568055 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -58.798
Base-Backbone interact. energy: -0.038
local terms energy: -79.540539
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -196.590877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.590877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.590877 (E_RNA)
where:
Base-Base interactions energy: -133.132
where: short stacking energy: -55.847
Base-Backbone interact. energy: 0.324
local terms energy: -63.782242
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -1.352
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: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -202.794891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.794891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.794891 (E_RNA)
where:
Base-Base interactions energy: -128.038
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.090
local terms energy: -74.666416
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -179.043284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.043284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.043284 (E_RNA)
where:
Base-Base interactions energy: -109.471
where: short stacking energy: -45.451
Base-Backbone interact. energy: -0.755
local terms energy: -68.817942
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -13.360
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: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -106.851666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.851666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.851666 (E_RNA)
where:
Base-Base interactions energy: -46.299
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.214
local terms energy: -60.339125
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -92.784333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.784333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.784333 (E_RNA)
where:
Base-Base interactions energy: -49.862
where: short stacking energy: -19.037
Base-Backbone interact. energy: -0.279
local terms energy: -42.643247
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -3.982
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -78.458560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.458560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.458560 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -24.081
Base-Backbone interact. energy: -0.176
local terms energy: -54.201368
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -8.037
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: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -262.460858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.460858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.460858 (E_RNA)
where:
Base-Base interactions energy: -193.232
where: short stacking energy: -70.713
Base-Backbone interact. energy: -0.579
local terms energy: -68.649235
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -16.988
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: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -237.479366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.479366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.479366 (E_RNA)
where:
Base-Base interactions energy: -145.611
where: short stacking energy: -80.574
Base-Backbone interact. energy: -0.135
local terms energy: -91.733563
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -22.153
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -24.359
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: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -227.519558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.519558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.519558 (E_RNA)
where:
Base-Base interactions energy: -144.755
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.052
local terms energy: -82.713137
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -207.118355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.118355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.118355 (E_RNA)
where:
Base-Base interactions energy: -132.958
where: short stacking energy: -62.533
Base-Backbone interact. energy: 0.065
local terms energy: -74.225182
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -12.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -189.041084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.041084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.041084 (E_RNA)
where:
Base-Base interactions energy: -117.939
where: short stacking energy: -47.529
Base-Backbone interact. energy: -0.660
local terms energy: -70.442327
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -14.630
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: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -185.523226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.523226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.523226 (E_RNA)
where:
Base-Base interactions energy: -108.349
where: short stacking energy: -43.740
Base-Backbone interact. energy: -0.116
local terms energy: -77.058012
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -14.552
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: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -201.512364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.512364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.512364 (E_RNA)
where:
Base-Base interactions energy: -126.666
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.276
local terms energy: -74.570742
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -16.051
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: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -96.166506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166506 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -35.337
Base-Backbone interact. energy: -0.066
local terms energy: -59.171307
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -100.147190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.147190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.147190 (E_RNA)
where:
Base-Base interactions energy: -41.160
where: short stacking energy: -39.053
Base-Backbone interact. energy: -0.081
local terms energy: -58.906245
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -104.382136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.382136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.382136 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -23.842
Base-Backbone interact. energy: -0.490
local terms energy: -50.672726
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -271.094059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.094059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.094059 (E_RNA)
where:
Base-Base interactions energy: -182.713
where: short stacking energy: -82.194
Base-Backbone interact. energy: -1.323
local terms energy: -87.057639
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -22.523
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: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -220.547944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.547944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.547944 (E_RNA)
where:
Base-Base interactions energy: -128.817
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.228
local terms energy: -91.503034
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -207.951888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.951888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.951888 (E_RNA)
where:
Base-Base interactions energy: -132.358
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.284
local terms energy: -75.309614
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -11.755
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: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -199.591611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.591611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.591611 (E_RNA)
where:
Base-Base interactions energy: -125.091
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.426
local terms energy: -74.074954
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -206.340738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.340738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.340738 (E_RNA)
where:
Base-Base interactions energy: -132.423
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.036
local terms energy: -73.881865
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -197.632131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.632131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.632131 (E_RNA)
where:
Base-Base interactions energy: -123.923
where: short stacking energy: -68.905
Base-Backbone interact. energy: 1.349
local terms energy: -75.057520
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -187.920006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.920006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.920006 (E_RNA)
where:
Base-Base interactions energy: -118.307
where: short stacking energy: -57.541
Base-Backbone interact. energy: -1.030
local terms energy: -68.582687
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -4.658
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: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -90.447435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447435 (E_RNA)
where:
Base-Base interactions energy: -42.356
where: short stacking energy: -26.034
Base-Backbone interact. energy: -0.817
local terms energy: -47.274453
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: 3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -112.943838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.943838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.943838 (E_RNA)
where:
Base-Base interactions energy: -53.484
where: short stacking energy: -31.981
Base-Backbone interact. energy: 0.653
local terms energy: -60.112547
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -1.962
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: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -106.843510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.843510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.843510 (E_RNA)
where:
Base-Base interactions energy: -53.377
where: short stacking energy: -18.327
Base-Backbone interact. energy: 0.590
local terms energy: -54.056425
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: 1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -274.905542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.905542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.905542 (E_RNA)
where:
Base-Base interactions energy: -184.943
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.868
local terms energy: -89.094921
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -227.690982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.690982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.690982 (E_RNA)
where:
Base-Base interactions energy: -137.167
where: short stacking energy: -79.555
Base-Backbone interact. energy: -0.137
local terms energy: -90.387556
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -20.194
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: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -217.788484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.788484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.788484 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -70.573
Base-Backbone interact. energy: -0.358
local terms energy: -86.828738
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -22.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -217.433300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.433300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.433300 (E_RNA)
where:
Base-Base interactions energy: -135.028
where: short stacking energy: -62.942
Base-Backbone interact. energy: 0.340
local terms energy: -82.744882
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -14.712
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: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -193.002552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.002552 (E_RNA)
where:
Base-Base interactions energy: -119.269
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.101
local terms energy: -73.631839
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -202.392099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.392099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.392099 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.050
local terms energy: -76.933413
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -15.409
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: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -189.933209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.933209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.933209 (E_RNA)
where:
Base-Base interactions energy: -124.750
where: short stacking energy: -58.447
Base-Backbone interact. energy: 0.913
local terms energy: -66.095533
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -95.368978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.368978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.368978 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -32.808
Base-Backbone interact. energy: 0.784
local terms energy: -61.254446
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -99.765970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.765970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.765970 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -26.906
Base-Backbone interact. energy: -0.250
local terms energy: -56.573932
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -6.174
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: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -80.690159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.690159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.690159 (E_RNA)
where:
Base-Base interactions energy: -33.736
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.721
local terms energy: -46.232685
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -268.783430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.783430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.783430 (E_RNA)
where:
Base-Base interactions energy: -181.105
where: short stacking energy: -75.684
Base-Backbone interact. energy: -0.677
local terms energy: -87.000997
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -221.726721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.726721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.726721 (E_RNA)
where:
Base-Base interactions energy: -138.011
where: short stacking energy: -78.302
Base-Backbone interact. energy: -0.556
local terms energy: -83.160144
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -209.521959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.521959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.521959 (E_RNA)
where:
Base-Base interactions energy: -130.580
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.169
local terms energy: -78.773062
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -203.881328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.881328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.881328 (E_RNA)
where:
Base-Base interactions energy: -131.279
where: short stacking energy: -51.166
Base-Backbone interact. energy: -1.789
local terms energy: -70.812760
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -207.754645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.754645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754645 (E_RNA)
where:
Base-Base interactions energy: -132.146
where: short stacking energy: -70.019
Base-Backbone interact. energy: -0.537
local terms energy: -75.071593
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -19.998
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: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -197.229534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.229534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.229534 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -66.800
Base-Backbone interact. energy: 0.075
local terms energy: -67.296060
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -13.990
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: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -184.707569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.707569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.707569 (E_RNA)
where:
Base-Base interactions energy: -119.896
where: short stacking energy: -49.297
Base-Backbone interact. energy: -0.619
local terms energy: -64.192552
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -109.725110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.725110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.725110 (E_RNA)
where:
Base-Base interactions energy: -45.099
where: short stacking energy: -45.099
Base-Backbone interact. energy: 0.981
local terms energy: -65.606173
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.167
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: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -99.677418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.677418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.677418 (E_RNA)
where:
Base-Base interactions energy: -41.254
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.880
local terms energy: -57.543928
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -92.300559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.300559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.300559 (E_RNA)
where:
Base-Base interactions energy: -32.602
where: short stacking energy: -29.887
Base-Backbone interact. energy: -0.367
local terms energy: -59.330752
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -7.286
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: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -272.194988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.194988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.194988 (E_RNA)
where:
Base-Base interactions energy: -188.453
where: short stacking energy: -74.126
Base-Backbone interact. energy: 0.416
local terms energy: -84.157376
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -14.487
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: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -208.648388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.648388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.648388 (E_RNA)
where:
Base-Base interactions energy: -128.227
where: short stacking energy: -62.659
Base-Backbone interact. energy: -0.236
local terms energy: -80.185082
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -218.058808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.058808 (E_RNA)
where:
Base-Base interactions energy: -139.368
where: short stacking energy: -75.351
Base-Backbone interact. energy: -0.343
local terms energy: -78.347502
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -208.878266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.878266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.878266 (E_RNA)
where:
Base-Base interactions energy: -138.143
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.085
local terms energy: -70.650566
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -17.060
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: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -220.146107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.146107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.146107 (E_RNA)
where:
Base-Base interactions energy: -135.006
where: short stacking energy: -68.333
Base-Backbone interact. energy: -0.027
local terms energy: -85.113253
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -18.974
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: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -192.974792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.974792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.974792 (E_RNA)
where:
Base-Base interactions energy: -118.576
where: short stacking energy: -47.100
Base-Backbone interact. energy: -0.177
local terms energy: -74.221575
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -9.635
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: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -173.848263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.848263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.848263 (E_RNA)
where:
Base-Base interactions energy: -106.017
where: short stacking energy: -39.798
Base-Backbone interact. energy: -0.513
local terms energy: -67.317892
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -168.118066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.118066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.118066 (E_RNA)
where:
Base-Base interactions energy: -99.636
where: short stacking energy: -38.095
Base-Backbone interact. energy: -1.279
local terms energy: -67.202576
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -112.731555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.731555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.731555 (E_RNA)
where:
Base-Base interactions energy: -48.302
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.033
local terms energy: -64.395787
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -84.799434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.799434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.799434 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -20.502
Base-Backbone interact. energy: -0.071
local terms energy: -57.558588
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: 0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -263.086090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.086090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.086090 (E_RNA)
where:
Base-Base interactions energy: -180.014
where: short stacking energy: -80.275
Base-Backbone interact. energy: -0.558
local terms energy: -82.513753
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -19.578
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: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -218.305870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.305870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.305870 (E_RNA)
where:
Base-Base interactions energy: -131.700
where: short stacking energy: -61.850
Base-Backbone interact. energy: -0.168
local terms energy: -86.438085
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -211.966026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.966026 (E_RNA)
where:
Base-Base interactions energy: -131.977
where: short stacking energy: -57.027
Base-Backbone interact. energy: -0.658
local terms energy: -79.331941
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -12.106
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: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -209.864275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.864275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.864275 (E_RNA)
where:
Base-Base interactions energy: -135.161
where: short stacking energy: -63.025
Base-Backbone interact. energy: -1.344
local terms energy: -73.359146
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -200.020318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.020318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.020318 (E_RNA)
where:
Base-Base interactions energy: -123.963
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.233
local terms energy: -75.824730
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -15.845
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: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -200.730350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.730350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.730350 (E_RNA)
where:
Base-Base interactions energy: -123.977
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.025
local terms energy: -76.727976
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -12.954
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: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -189.225407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.225407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.225407 (E_RNA)
where:
Base-Base interactions energy: -116.734
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.654
local terms energy: -71.836969
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -194.388492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.388492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.388492 (E_RNA)
where:
Base-Base interactions energy: -120.310
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.560
local terms energy: -73.519139
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -93.161825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.161825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.161825 (E_RNA)
where:
Base-Base interactions energy: -32.649
where: short stacking energy: -32.649
Base-Backbone interact. energy: -0.108
local terms energy: -60.404517
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -85.301655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301655 (E_RNA)
where:
Base-Base interactions energy: -29.339
where: short stacking energy: -21.207
Base-Backbone interact. energy: 0.724
local terms energy: -56.687463
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -264.410033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.410033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.410033 (E_RNA)
where:
Base-Base interactions energy: -177.334
where: short stacking energy: -75.569
Base-Backbone interact. energy: -0.553
local terms energy: -86.523666
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -214.737238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.737238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.737238 (E_RNA)
where:
Base-Base interactions energy: -129.373
where: short stacking energy: -72.990
Base-Backbone interact. energy: -0.860
local terms energy: -84.503894
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -19.907
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: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -202.054015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.054015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.054015 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.191
local terms energy: -71.751435
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -209.931171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.931171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.931171 (E_RNA)
where:
Base-Base interactions energy: -134.176
where: short stacking energy: -64.420
Base-Backbone interact. energy: -0.383
local terms energy: -75.372469
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -200.779400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.779400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.779400 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -57.941
Base-Backbone interact. energy: 0.696
local terms energy: -74.769525
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -18.713
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: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -183.870502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.870502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.870502 (E_RNA)
where:
Base-Base interactions energy: -109.674
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.960
local terms energy: -73.236936
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -12.431
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: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -189.106178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.106178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.106178 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -53.292
Base-Backbone interact. energy: -0.205
local terms energy: -59.364782
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -12.019
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: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -194.108383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.108383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.108383 (E_RNA)
where:
Base-Base interactions energy: -116.243
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.394
local terms energy: -77.471459
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -12.697
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: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -83.745592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.745592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.745592 (E_RNA)
where:
Base-Base interactions energy: -25.204
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.068
local terms energy: -58.473611
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -9.192
flat angles P-C4'-P energy: -11.859
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: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -86.807930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.807930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.807930 (E_RNA)
where:
Base-Base interactions energy: -42.684
where: short stacking energy: -36.746
Base-Backbone interact. energy: -0.157
local terms energy: -43.967453
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -4.019
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: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -278.388598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.388598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.388598 (E_RNA)
where:
Base-Base interactions energy: -183.604
where: short stacking energy: -80.579
Base-Backbone interact. energy: 0.229
local terms energy: -95.014144
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -210.776565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.776565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.776565 (E_RNA)
where:
Base-Base interactions energy: -136.066
where: short stacking energy: -68.083
Base-Backbone interact. energy: -0.688
local terms energy: -74.022237
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -209.492954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.492954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.492954 (E_RNA)
where:
Base-Base interactions energy: -124.687
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.385
local terms energy: -84.420817
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -17.114
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: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -202.453690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.453690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.453690 (E_RNA)
where:
Base-Base interactions energy: -131.968
where: short stacking energy: -64.193
Base-Backbone interact. energy: -0.221
local terms energy: -70.264746
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -191.378507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.378507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.378507 (E_RNA)
where:
Base-Base interactions energy: -123.904
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.192
local terms energy: -67.283017
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -12.393
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: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -202.234680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.234680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.234680 (E_RNA)
where:
Base-Base interactions energy: -122.640
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.696
local terms energy: -78.898031
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -16.859
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: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -181.167980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.167980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.167980 (E_RNA)
where:
Base-Base interactions energy: -113.718
where: short stacking energy: -54.801
Base-Backbone interact. energy: -1.117
local terms energy: -66.332337
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -184.522783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.522783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.522783 (E_RNA)
where:
Base-Base interactions energy: -127.660
where: short stacking energy: -52.717
Base-Backbone interact. energy: 0.638
local terms energy: -57.501195
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -9.430
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: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -99.915898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.915898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.915898 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.379
local terms energy: -66.646659
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -10.606
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: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -87.466922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.466922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.466922 (E_RNA)
where:
Base-Base interactions energy: -35.896
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.489
local terms energy: -51.081591
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -8.043
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: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -275.507790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.507790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.507790 (E_RNA)
where:
Base-Base interactions energy: -183.389
where: short stacking energy: -75.685
Base-Backbone interact. energy: -0.702
local terms energy: -91.417087
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -245.867944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.867944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.867944 (E_RNA)
where:
Base-Base interactions energy: -156.513
where: short stacking energy: -80.828
Base-Backbone interact. energy: -0.005
local terms energy: -89.349541
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -24.653
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: 289
Temperature: 1.000000
Total energy: -209.466287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.466287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.466287 (E_RNA)
where:
Base-Base interactions energy: -128.657
where: short stacking energy: -55.050
Base-Backbone interact. energy: -0.020
local terms energy: -80.788546
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -201.820756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.820756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.820756 (E_RNA)
where:
Base-Base interactions energy: -130.013
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.085
local terms energy: -71.722634
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -12.796
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -196.948715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.948715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.948715 (E_RNA)
where:
Base-Base interactions energy: -124.336
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.089
local terms energy: -72.523283
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -195.332953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.332953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.332953 (E_RNA)
where:
Base-Base interactions energy: -123.244
where: short stacking energy: -54.606
Base-Backbone interact. energy: -1.000
local terms energy: -71.089829
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -195.523603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.523603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.523603 (E_RNA)
where:
Base-Base interactions energy: -117.216
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.396
local terms energy: -77.911931
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -187.427515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.427515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.427515 (E_RNA)
where:
Base-Base interactions energy: -124.081
where: short stacking energy: -57.501
Base-Backbone interact. energy: 0.064
local terms energy: -63.410733
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -95.876426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.876426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.876426 (E_RNA)
where:
Base-Base interactions energy: -46.596
where: short stacking energy: -33.606
Base-Backbone interact. energy: -0.707
local terms energy: -48.573475
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -96.102693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.102693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.102693 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -33.580
Base-Backbone interact. energy: -0.187
local terms energy: -52.200214
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -0.203
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -230.405037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.405037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.405037 (E_RNA)
where:
Base-Base interactions energy: -141.088
where: short stacking energy: -75.291
Base-Backbone interact. energy: -0.091
local terms energy: -89.226241
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -273.249703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.249703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.249703 (E_RNA)
where:
Base-Base interactions energy: -178.277
where: short stacking energy: -68.204
Base-Backbone interact. energy: -0.606
local terms energy: -94.366533
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -21.334
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: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -219.797321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.797321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.797321 (E_RNA)
where:
Base-Base interactions energy: -143.041
where: short stacking energy: -79.029
Base-Backbone interact. energy: 1.462
local terms energy: -78.218013
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.341
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: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -201.745154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.745154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.745154 (E_RNA)
where:
Base-Base interactions energy: -126.962
where: short stacking energy: -63.962
Base-Backbone interact. energy: -0.054
local terms energy: -74.729178
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -18.843
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -210.904282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.904282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.904282 (E_RNA)
where:
Base-Base interactions energy: -135.347
where: short stacking energy: -59.274
Base-Backbone interact. energy: -0.288
local terms energy: -75.269123
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -191.231556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.231556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.231556 (E_RNA)
where:
Base-Base interactions energy: -121.863
where: short stacking energy: -50.251
Base-Backbone interact. energy: -0.138
local terms energy: -69.230933
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -186.767387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.767387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.767387 (E_RNA)
where:
Base-Base interactions energy: -119.739
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.167
local terms energy: -66.860989
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -13.814
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: 290
Temperature: 1.250000
Total energy: -173.870840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.870840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.870840 (E_RNA)
where:
Base-Base interactions energy: -104.004
where: short stacking energy: -48.145
Base-Backbone interact. energy: -1.212
local terms energy: -68.653963
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -108.524844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.524844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.524844 (E_RNA)
where:
Base-Base interactions energy: -51.429
where: short stacking energy: -34.614
Base-Backbone interact. energy: 0.647
local terms energy: -57.742691
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -84.851277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.851277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.851277 (E_RNA)
where:
Base-Base interactions energy: -23.566
where: short stacking energy: -15.825
Base-Backbone interact. energy: 1.277
local terms energy: -62.563024
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -233.374662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.374662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.374662 (E_RNA)
where:
Base-Base interactions energy: -153.632
where: short stacking energy: -76.972
Base-Backbone interact. energy: -0.654
local terms energy: -79.087932
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -23.071
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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -223.089495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.089495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.089495 (E_RNA)
where:
Base-Base interactions energy: -136.884
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.003
local terms energy: -86.202244
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -21.149
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: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -256.338138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.338138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.338138 (E_RNA)
where:
Base-Base interactions energy: -176.620
where: short stacking energy: -77.153
Base-Backbone interact. energy: -0.282
local terms energy: -79.436032
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -206.372819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.372819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.372819 (E_RNA)
where:
Base-Base interactions energy: -125.131
where: short stacking energy: -63.011
Base-Backbone interact. energy: -0.232
local terms energy: -81.009976
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -17.994
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: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -196.544325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.544325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.544325 (E_RNA)
where:
Base-Base interactions energy: -128.145
where: short stacking energy: -55.827
Base-Backbone interact. energy: -0.718
local terms energy: -67.682179
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -194.567550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.567550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.567550 (E_RNA)
where:
Base-Base interactions energy: -119.626
where: short stacking energy: -53.981
Base-Backbone interact. energy: -0.331
local terms energy: -74.610567
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -195.623992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.623992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.623992 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -54.159
Base-Backbone interact. energy: -0.128
local terms energy: -61.790315
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -7.509
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: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -188.789583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.789583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.789583 (E_RNA)
where:
Base-Base interactions energy: -116.276
where: short stacking energy: -57.581
Base-Backbone interact. energy: -1.701
local terms energy: -70.812594
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -83.268832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268832 (E_RNA)
where:
Base-Base interactions energy: -23.088
where: short stacking energy: -23.759
Base-Backbone interact. energy: 3.093
local terms energy: -63.274580
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -83.106471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.106471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.106471 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -33.115
Base-Backbone interact. energy: 2.404
local terms energy: -46.641037
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -229.380491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.380491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.380491 (E_RNA)
where:
Base-Base interactions energy: -146.569
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.174
local terms energy: -82.637484
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -23.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -230.341662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.341662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.341662 (E_RNA)
where:
Base-Base interactions energy: -145.292
where: short stacking energy: -69.398
Base-Backbone interact. energy: 0.532
local terms energy: -85.581466
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -18.824
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: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -251.572410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.572410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.572410 (E_RNA)
where:
Base-Base interactions energy: -163.199
where: short stacking energy: -76.429
Base-Backbone interact. energy: -0.603
local terms energy: -87.770433
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -201.566804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.566804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.566804 (E_RNA)
where:
Base-Base interactions energy: -122.871
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.815
local terms energy: -77.880494
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -203.688660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.688660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.688660 (E_RNA)
where:
Base-Base interactions energy: -128.468
where: short stacking energy: -67.013
Base-Backbone interact. energy: 1.028
local terms energy: -76.248486
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -15.653
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: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -202.388923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.388923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.388923 (E_RNA)
where:
Base-Base interactions energy: -130.623
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.308
local terms energy: -71.458655
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -164.816632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.816632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.816632 (E_RNA)
where:
Base-Base interactions energy: -94.756
where: short stacking energy: -54.186
Base-Backbone interact. energy: -0.157
local terms energy: -69.904204
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -193.541129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.541129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.541129 (E_RNA)
where:
Base-Base interactions energy: -118.168
where: short stacking energy: -59.362
Base-Backbone interact. energy: -0.118
local terms energy: -75.254753
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -15.861
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: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -83.975100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.975100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.975100 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -21.226
Base-Backbone interact. energy: -0.259
local terms energy: -51.970016
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -89.722930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.722930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.722930 (E_RNA)
where:
Base-Base interactions energy: -26.398
where: short stacking energy: -26.106
Base-Backbone interact. energy: 0.605
local terms energy: -63.929993
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -239.365482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.365482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.365482 (E_RNA)
where:
Base-Base interactions energy: -146.661
where: short stacking energy: -76.838
Base-Backbone interact. energy: -0.221
local terms energy: -92.483212
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -275.182313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.182313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.182313 (E_RNA)
where:
Base-Base interactions energy: -183.984
where: short stacking energy: -78.659
Base-Backbone interact. energy: -0.629
local terms energy: -90.568873
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -21.935
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: 293
Temperature: 1.000000
Total energy: -212.817545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.817545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.817545 (E_RNA)
where:
Base-Base interactions energy: -134.612
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.095
local terms energy: -78.110264
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -211.155611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.155611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.155611 (E_RNA)
where:
Base-Base interactions energy: -133.287
where: short stacking energy: -64.600
Base-Backbone interact. energy: -0.114
local terms energy: -77.754967
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -199.521492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.521492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.521492 (E_RNA)
where:
Base-Base interactions energy: -128.389
where: short stacking energy: -62.254
Base-Backbone interact. energy: -0.027
local terms energy: -71.105290
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -17.999
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: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -185.361978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.361978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.361978 (E_RNA)
where:
Base-Base interactions energy: -103.286
where: short stacking energy: -52.098
Base-Backbone interact. energy: -1.679
local terms energy: -80.396794
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -12.531
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: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -192.358832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.358832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.358832 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -60.189
Base-Backbone interact. energy: -1.271
local terms energy: -71.435823
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -178.890519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.890519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.890519 (E_RNA)
where:
Base-Base interactions energy: -109.137
where: short stacking energy: -50.729
Base-Backbone interact. energy: -0.364
local terms energy: -69.389620
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -15.274
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: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -91.761649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.761649 (E_RNA)
where:
Base-Base interactions energy: -43.301
where: short stacking energy: -33.101
Base-Backbone interact. energy: 0.003
local terms energy: -48.463270
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -6.805
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -94.939933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.939933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.939933 (E_RNA)
where:
Base-Base interactions energy: -27.504
where: short stacking energy: -25.279
Base-Backbone interact. energy: -0.199
local terms energy: -67.236556
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -272.444688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.444688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.444688 (E_RNA)
where:
Base-Base interactions energy: -184.927
where: short stacking energy: -76.136
Base-Backbone interact. energy: -0.041
local terms energy: -87.476822
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -231.071798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.071798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.071798 (E_RNA)
where:
Base-Base interactions energy: -147.266
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.699
local terms energy: -83.107222
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -8.832
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: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -220.461483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.461483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.461483 (E_RNA)
where:
Base-Base interactions energy: -133.526
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.010
local terms energy: -86.925915
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -209.346111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.346111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.346111 (E_RNA)
where:
Base-Base interactions energy: -131.204
where: short stacking energy: -56.430
Base-Backbone interact. energy: -0.088
local terms energy: -78.054022
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -187.302351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.302351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.302351 (E_RNA)
where:
Base-Base interactions energy: -111.856
where: short stacking energy: -50.201
Base-Backbone interact. energy: -0.324
local terms energy: -75.122817
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -7.835
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: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -207.937588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.937588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.937588 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -60.711
Base-Backbone interact. energy: 0.008
local terms energy: -78.304331
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -196.228059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.228059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.228059 (E_RNA)
where:
Base-Base interactions energy: -125.977
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.164
local terms energy: -70.086355
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -6.396
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: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -190.555179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.555179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.555179 (E_RNA)
where:
Base-Base interactions energy: -118.157
where: short stacking energy: -45.767
Base-Backbone interact. energy: -1.966
local terms energy: -70.432641
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -90.247142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.247142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.247142 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -28.978
Base-Backbone interact. energy: -0.167
local terms energy: -51.212695
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -12.530
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: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -107.589929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.589929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.589929 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.502
local terms energy: -64.969226
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -4.835
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: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -268.442809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.442809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.442809 (E_RNA)
where:
Base-Base interactions energy: -177.903
where: short stacking energy: -78.408
Base-Backbone interact. energy: -0.749
local terms energy: -89.791300
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -220.295273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.295273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.295273 (E_RNA)
where:
Base-Base interactions energy: -139.750
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.295
local terms energy: -80.250531
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -14.316
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -215.449510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.449510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.449510 (E_RNA)
where:
Base-Base interactions energy: -134.293
where: short stacking energy: -76.468
Base-Backbone interact. energy: -0.246
local terms energy: -80.910491
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -20.050
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: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -206.251080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.251080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.251080 (E_RNA)
where:
Base-Base interactions energy: -128.071
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.502
local terms energy: -77.677803
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -206.648828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.648828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.648828 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.076
local terms energy: -81.227696
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -14.668
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: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -200.224843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.224843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.224843 (E_RNA)
where:
Base-Base interactions energy: -126.102
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.003
local terms energy: -74.119817
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -199.946386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.946386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.946386 (E_RNA)
where:
Base-Base interactions energy: -124.487
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.223
local terms energy: -75.237016
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -184.271653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.271653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.271653 (E_RNA)
where:
Base-Base interactions energy: -109.379
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.089
local terms energy: -74.803389
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -7.953
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: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -89.838003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.838003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.838003 (E_RNA)
where:
Base-Base interactions energy: -26.557
where: short stacking energy: -26.557
Base-Backbone interact. energy: 1.546
local terms energy: -64.827074
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -5.951
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: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -83.355232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.355232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.355232 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -30.046
Base-Backbone interact. energy: -0.143
local terms energy: -52.983230
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -273.564421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.564421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.564421 (E_RNA)
where:
Base-Base interactions energy: -184.321
where: short stacking energy: -77.487
Base-Backbone interact. energy: -0.587
local terms energy: -88.656425
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -21.947
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -213.107184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.107184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.107184 (E_RNA)
where:
Base-Base interactions energy: -133.704
where: short stacking energy: -72.622
Base-Backbone interact. energy: -1.346
local terms energy: -78.056568
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.960
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: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -213.067870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.067870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.067870 (E_RNA)
where:
Base-Base interactions energy: -133.727
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.150
local terms energy: -79.191389
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -211.040131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.040131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.040131 (E_RNA)
where:
Base-Base interactions energy: -131.547
where: short stacking energy: -67.524
Base-Backbone interact. energy: 1.649
local terms energy: -81.142740
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -195.931560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.931560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.931560 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.428
local terms energy: -73.858444
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -9.799
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: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -190.184767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.184767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.184767 (E_RNA)
where:
Base-Base interactions energy: -122.108
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.876
local terms energy: -67.200904
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -190.402506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.402506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.402506 (E_RNA)
where:
Base-Base interactions energy: -127.065
where: short stacking energy: -48.160
Base-Backbone interact. energy: -0.356
local terms energy: -62.981948
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -184.046074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.046074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.046074 (E_RNA)
where:
Base-Base interactions energy: -112.024
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.294
local terms energy: -71.727606
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -92.230849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.230849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.230849 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -31.799
Base-Backbone interact. energy: -0.098
local terms energy: -56.566984
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -7.925
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: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -86.783210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783210 (E_RNA)
where:
Base-Base interactions energy: -31.169
where: short stacking energy: -30.866
Base-Backbone interact. energy: -0.192
local terms energy: -55.421837
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -267.759034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.759034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.759034 (E_RNA)
where:
Base-Base interactions energy: -180.053
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.586
local terms energy: -87.119751
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -23.297
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: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -225.411235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.411235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.411235 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -76.368
Base-Backbone interact. energy: -0.096
local terms energy: -80.694261
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -10.679
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: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -219.015433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.015433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.015433 (E_RNA)
where:
Base-Base interactions energy: -134.535
where: short stacking energy: -66.037
Base-Backbone interact. energy: 0.149
local terms energy: -84.629987
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -18.758
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: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -209.610809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.610809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.610809 (E_RNA)
where:
Base-Base interactions energy: -137.478
where: short stacking energy: -68.072
Base-Backbone interact. energy: -0.287
local terms energy: -71.845007
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -191.357082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.357082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.357082 (E_RNA)
where:
Base-Base interactions energy: -114.636
where: short stacking energy: -46.412
Base-Backbone interact. energy: 0.276
local terms energy: -76.996525
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -182.661096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.661096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.661096 (E_RNA)
where:
Base-Base interactions energy: -119.391
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.178
local terms energy: -63.092414
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -5.817
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: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -199.873977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.873977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.873977 (E_RNA)
where:
Base-Base interactions energy: -117.033
where: short stacking energy: -57.238
Base-Backbone interact. energy: 0.475
local terms energy: -83.315665
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -15.139
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: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -198.364824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.364824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.364824 (E_RNA)
where:
Base-Base interactions energy: -114.879
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.155
local terms energy: -83.331232
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -14.264
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: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -112.995973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.995973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.995973 (E_RNA)
where:
Base-Base interactions energy: -45.224
where: short stacking energy: -37.778
Base-Backbone interact. energy: -0.198
local terms energy: -67.574075
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -97.751649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.751649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.751649 (E_RNA)
where:
Base-Base interactions energy: -31.358
where: short stacking energy: -29.601
Base-Backbone interact. energy: 1.178
local terms energy: -67.572042
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -268.504871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.504871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.504871 (E_RNA)
where:
Base-Base interactions energy: -175.993
where: short stacking energy: -68.842
Base-Backbone interact. energy: -0.977
local terms energy: -91.535217
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -216.147485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.147485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.147485 (E_RNA)
where:
Base-Base interactions energy: -133.519
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.108
local terms energy: -82.520544
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -230.054557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.054557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.054557 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.754
local terms energy: -88.433333
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -21.411
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: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -205.197834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.197834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.197834 (E_RNA)
where:
Base-Base interactions energy: -127.326
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.007
local terms energy: -77.865087
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -189.621786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.621786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.621786 (E_RNA)
where:
Base-Base interactions energy: -120.008
where: short stacking energy: -60.736
Base-Backbone interact. energy: -0.111
local terms energy: -69.502451
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -13.376
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: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -206.857298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.857298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.857298 (E_RNA)
where:
Base-Base interactions energy: -137.532
where: short stacking energy: -61.259
Base-Backbone interact. energy: -1.294
local terms energy: -68.031454
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -12.144
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: 298
Temperature: 1.200000
Total energy: -190.321970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.321970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.321970 (E_RNA)
where:
Base-Base interactions energy: -112.226
where: short stacking energy: -50.832
Base-Backbone interact. energy: -0.402
local terms energy: -77.693841
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -17.074
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: 298
Temperature: 1.250000
Total energy: -190.238890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.238890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.238890 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.037
local terms energy: -69.396528
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -87.999862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999862 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -32.792
Base-Backbone interact. energy: -0.185
local terms energy: -52.977168
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -92.796367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.796367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.796367 (E_RNA)
where:
Base-Base interactions energy: -39.150
where: short stacking energy: -27.790
Base-Backbone interact. energy: -0.984
local terms energy: -52.662220
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -265.126739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.126739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.126739 (E_RNA)
where:
Base-Base interactions energy: -179.316
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.394
local terms energy: -85.416878
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -22.705
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: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -231.591169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.591169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.591169 (E_RNA)
where:
Base-Base interactions energy: -149.143
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.515
local terms energy: -81.933201
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -206.767169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.767169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.767169 (E_RNA)
where:
Base-Base interactions energy: -123.110
where: short stacking energy: -69.466
Base-Backbone interact. energy: -0.575
local terms energy: -83.082454
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -17.139
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: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -214.786717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.786717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.786717 (E_RNA)
where:
Base-Base interactions energy: -126.477
where: short stacking energy: -66.923
Base-Backbone interact. energy: -1.027
local terms energy: -87.283081
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -189.653681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.653681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.653681 (E_RNA)
where:
Base-Base interactions energy: -123.579
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.285
local terms energy: -65.790052
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -5.779
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: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -195.470332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.470332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.470332 (E_RNA)
where:
Base-Base interactions energy: -123.603
where: short stacking energy: -65.458
Base-Backbone interact. energy: 0.355
local terms energy: -72.223132
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -17.077
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -188.171218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.171218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.171218 (E_RNA)
where:
Base-Base interactions energy: -113.249
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.646
local terms energy: -74.276524
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -18.538
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: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -190.328307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.328307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.328307 (E_RNA)
where:
Base-Base interactions energy: -122.512
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.024
local terms energy: -67.792505
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -14.293
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: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -97.956130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.956130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.956130 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -35.774
Base-Backbone interact. energy: 0.058
local terms energy: -52.833648
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: 1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -107.631926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.631926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.631926 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -45.606
Base-Backbone interact. energy: -0.241
local terms energy: -61.785440
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -7.215
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: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -274.545591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.545591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.545591 (E_RNA)
where:
Base-Base interactions energy: -183.560
where: short stacking energy: -80.154
Base-Backbone interact. energy: 0.449
local terms energy: -91.434613
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -25.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -227.832223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.832223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.832223 (E_RNA)
where:
Base-Base interactions energy: -144.047
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.711
local terms energy: -83.073529
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -208.138596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.138596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.138596 (E_RNA)
where:
Base-Base interactions energy: -119.453
where: short stacking energy: -63.387
Base-Backbone interact. energy: -0.356
local terms energy: -88.329391
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -21.661
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: 300
Temperature: 1.050000
Total energy: -211.897414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.897414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.897414 (E_RNA)
where:
Base-Base interactions energy: -137.669
where: short stacking energy: -72.846
Base-Backbone interact. energy: 0.717
local terms energy: -74.945359
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -17.266
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: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -199.527103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.527103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.527103 (E_RNA)
where:
Base-Base interactions energy: -123.303
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.647
local terms energy: -75.576729
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -186.559631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559631 (E_RNA)
where:
Base-Base interactions energy: -116.912
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.020
local terms energy: -69.627859
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -195.184473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184473 (E_RNA)
where:
Base-Base interactions energy: -120.645
where: short stacking energy: -52.952
Base-Backbone interact. energy: -0.319
local terms energy: -74.220712
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -176.643704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.643704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.643704 (E_RNA)
where:
Base-Base interactions energy: -109.894
where: short stacking energy: -48.769
Base-Backbone interact. energy: -1.187
local terms energy: -65.562906
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -6.338
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: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -89.522290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.522290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.522290 (E_RNA)
where:
Base-Base interactions energy: -32.481
where: short stacking energy: -28.438
Base-Backbone interact. energy: -0.027
local terms energy: -57.014778
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -96.317570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.317570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.317570 (E_RNA)
where:
Base-Base interactions energy: -42.269
where: short stacking energy: -26.851
Base-Backbone interact. energy: -0.448
local terms energy: -53.600986
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -269.452691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.452691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.452691 (E_RNA)
where:
Base-Base interactions energy: -184.567
where: short stacking energy: -79.078
Base-Backbone interact. energy: -1.094
local terms energy: -83.791954
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -225.614960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.614960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.614960 (E_RNA)
where:
Base-Base interactions energy: -134.866
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.494
local terms energy: -90.255447
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -12.429
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: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -206.748365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.748365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.748365 (E_RNA)
where:
Base-Base interactions energy: -134.911
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.748
local terms energy: -71.089549
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -202.303514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.303514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.303514 (E_RNA)
where:
Base-Base interactions energy: -124.937
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.626
local terms energy: -76.740095
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -9.029
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: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -188.525174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.525174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.525174 (E_RNA)
where:
Base-Base interactions energy: -106.088
where: short stacking energy: -55.905
Base-Backbone interact. energy: 0.133
local terms energy: -82.569999
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -14.609
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: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -194.995225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.995225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.995225 (E_RNA)
where:
Base-Base interactions energy: -117.735
where: short stacking energy: -57.700
Base-Backbone interact. energy: -0.196
local terms energy: -77.063399
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -16.304
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: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -199.449683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.449683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.449683 (E_RNA)
where:
Base-Base interactions energy: -133.901
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.190
local terms energy: -65.358270
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -189.421600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.421600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.421600 (E_RNA)
where:
Base-Base interactions energy: -112.538
where: short stacking energy: -52.345
Base-Backbone interact. energy: -0.171
local terms energy: -76.712838
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -79.503347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503347 (E_RNA)
where:
Base-Base interactions energy: -28.381
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.105
local terms energy: -51.017992
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -92.366124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.366124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.366124 (E_RNA)
where:
Base-Base interactions energy: -35.030
where: short stacking energy: -22.766
Base-Backbone interact. energy: -0.363
local terms energy: -56.972637
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -265.980349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.980349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.980349 (E_RNA)
where:
Base-Base interactions energy: -176.411
where: short stacking energy: -76.313
Base-Backbone interact. energy: -0.211
local terms energy: -89.357971
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -23.944
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: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -219.898029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.898029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.898029 (E_RNA)
where:
Base-Base interactions energy: -135.372
where: short stacking energy: -71.399
Base-Backbone interact. energy: -0.393
local terms energy: -84.133347
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -210.234643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.234643 (E_RNA)
where:
Base-Base interactions energy: -126.245
where: short stacking energy: -63.655
Base-Backbone interact. energy: -0.462
local terms energy: -83.528392
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -212.060024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.060024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.060024 (E_RNA)
where:
Base-Base interactions energy: -136.032
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.589
local terms energy: -75.438876
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -18.264
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: 302
Temperature: 1.100000
Total energy: -218.011130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.011130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.011130 (E_RNA)
where:
Base-Base interactions energy: -134.238
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.042
local terms energy: -83.730990
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -20.086
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: 302
Temperature: 1.150000
Total energy: -185.959817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.959817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.959817 (E_RNA)
where:
Base-Base interactions energy: -110.945
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.142
local terms energy: -74.872373
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -13.083
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: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -175.910213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.910213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.910213 (E_RNA)
where:
Base-Base interactions energy: -110.391
where: short stacking energy: -51.865
Base-Backbone interact. energy: -0.738
local terms energy: -64.781494
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -9.440
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: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -188.094297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.094297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.094297 (E_RNA)
where:
Base-Base interactions energy: -134.870
where: short stacking energy: -54.263
Base-Backbone interact. energy: -0.040
local terms energy: -53.184034
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -108.477180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.477180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.477180 (E_RNA)
where:
Base-Base interactions energy: -41.777
where: short stacking energy: -40.090
Base-Backbone interact. energy: -0.073
local terms energy: -66.627429
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -81.734338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.734338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.734338 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.186
local terms energy: -50.813733
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -269.263833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.263833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.263833 (E_RNA)
where:
Base-Base interactions energy: -182.774
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.911
local terms energy: -85.578841
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -230.173210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.173210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.173210 (E_RNA)
where:
Base-Base interactions energy: -155.058
where: short stacking energy: -65.605
Base-Backbone interact. energy: -0.189
local terms energy: -74.926169
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -15.277
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: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -220.710285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.710285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.710285 (E_RNA)
where:
Base-Base interactions energy: -140.970
where: short stacking energy: -73.754
Base-Backbone interact. energy: -0.110
local terms energy: -79.629839
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -197.683354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.683354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.683354 (E_RNA)
where:
Base-Base interactions energy: -128.438
where: short stacking energy: -58.485
Base-Backbone interact. energy: 3.083
local terms energy: -72.327931
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -200.471163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.471163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.471163 (E_RNA)
where:
Base-Base interactions energy: -130.599
where: short stacking energy: -59.364
Base-Backbone interact. energy: 1.057
local terms energy: -70.929134
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -180.859876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.859876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.859876 (E_RNA)
where:
Base-Base interactions energy: -112.379
where: short stacking energy: -45.382
Base-Backbone interact. energy: -0.050
local terms energy: -68.430399
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -195.987388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.987388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.987388 (E_RNA)
where:
Base-Base interactions energy: -119.729
where: short stacking energy: -65.242
Base-Backbone interact. energy: -0.048
local terms energy: -76.209906
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -176.621247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.621247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.621247 (E_RNA)
where:
Base-Base interactions energy: -107.213
where: short stacking energy: -43.789
Base-Backbone interact. energy: -0.688
local terms energy: -68.719926
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -92.391133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.391133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.391133 (E_RNA)
where:
Base-Base interactions energy: -38.719
where: short stacking energy: -18.080
Base-Backbone interact. energy: 0.132
local terms energy: -53.803416
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -0.076
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: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -83.163484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163484 (E_RNA)
where:
Base-Base interactions energy: -27.741
where: short stacking energy: -20.219
Base-Backbone interact. energy: -0.194
local terms energy: -55.228255
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -8.150
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: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -268.821166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.821166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.821166 (E_RNA)
where:
Base-Base interactions energy: -186.476
where: short stacking energy: -70.466
Base-Backbone interact. energy: 0.264
local terms energy: -82.609697
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -220.136782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.136782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.136782 (E_RNA)
where:
Base-Base interactions energy: -133.135
where: short stacking energy: -75.053
Base-Backbone interact. energy: -0.090
local terms energy: -86.912536
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -217.553891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.553891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.553891 (E_RNA)
where:
Base-Base interactions energy: -129.205
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.473
local terms energy: -87.875364
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -14.843
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: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -200.663591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.663591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.663591 (E_RNA)
where:
Base-Base interactions energy: -127.579
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.359
local terms energy: -72.725007
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -14.186
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: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -206.478814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.478814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.478814 (E_RNA)
where:
Base-Base interactions energy: -135.120
where: short stacking energy: -64.724
Base-Backbone interact. energy: 0.173
local terms energy: -71.531358
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -9.363
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: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -191.793417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.793417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.793417 (E_RNA)
where:
Base-Base interactions energy: -125.114
where: short stacking energy: -50.771
Base-Backbone interact. energy: -0.607
local terms energy: -66.072329
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -188.903856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.903856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.903856 (E_RNA)
where:
Base-Base interactions energy: -115.859
where: short stacking energy: -52.498
Base-Backbone interact. energy: -0.865
local terms energy: -72.180320
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -165.191414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.191414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.191414 (E_RNA)
where:
Base-Base interactions energy: -97.487
where: short stacking energy: -53.797
Base-Backbone interact. energy: 0.394
local terms energy: -68.098268
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -11.279
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: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -89.873212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.873212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.873212 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -33.697
Base-Backbone interact. energy: -0.282
local terms energy: -54.105131
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -11.676
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: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -90.280979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.280979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.280979 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -38.744
Base-Backbone interact. energy: -0.275
local terms energy: -50.404065
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -261.686213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.686213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.686213 (E_RNA)
where:
Base-Base interactions energy: -173.233
where: short stacking energy: -74.259
Base-Backbone interact. energy: -1.016
local terms energy: -87.437509
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -20.180
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: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -233.863993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.863993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.863993 (E_RNA)
where:
Base-Base interactions energy: -141.574
where: short stacking energy: -71.166
Base-Backbone interact. energy: -0.009
local terms energy: -92.280846
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -22.211
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -211.814553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.814553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.814553 (E_RNA)
where:
Base-Base interactions energy: -132.036
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.597
local terms energy: -79.181226
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -207.111508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.111508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.111508 (E_RNA)
where:
Base-Base interactions energy: -132.421
where: short stacking energy: -65.750
Base-Backbone interact. energy: 0.533
local terms energy: -75.223912
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -190.773933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.773933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.773933 (E_RNA)
where:
Base-Base interactions energy: -126.431
where: short stacking energy: -49.510
Base-Backbone interact. energy: 1.143
local terms energy: -65.485533
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -8.347
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: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -191.415318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.415318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.415318 (E_RNA)
where:
Base-Base interactions energy: -117.134
where: short stacking energy: -49.861
Base-Backbone interact. energy: 1.188
local terms energy: -75.469948
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -205.063631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.063631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.063631 (E_RNA)
where:
Base-Base interactions energy: -122.554
where: short stacking energy: -56.690
Base-Backbone interact. energy: -1.240
local terms energy: -81.269605
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -174.164560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.164560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.164560 (E_RNA)
where:
Base-Base interactions energy: -119.357
where: short stacking energy: -59.192
Base-Backbone interact. energy: -0.484
local terms energy: -54.323280
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -115.308390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.308390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.308390 (E_RNA)
where:
Base-Base interactions energy: -44.107
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.145
local terms energy: -71.055762
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -96.380641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.380641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.380641 (E_RNA)
where:
Base-Base interactions energy: -29.373
where: short stacking energy: -29.373
Base-Backbone interact. energy: 0.620
local terms energy: -67.627909
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -265.012621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.012621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.012621 (E_RNA)
where:
Base-Base interactions energy: -175.984
where: short stacking energy: -79.554
Base-Backbone interact. energy: -0.498
local terms energy: -88.530517
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -237.145270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.145270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.145270 (E_RNA)
where:
Base-Base interactions energy: -155.039
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.644
local terms energy: -81.461995
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -20.881
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: 306
Temperature: 1.000000
Total energy: -213.127721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.127721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.127721 (E_RNA)
where:
Base-Base interactions energy: -137.865
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.098
local terms energy: -75.164024
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -16.186
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: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -207.231296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.231296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.231296 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.187
local terms energy: -81.672457
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -18.680
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: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -213.583557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.583557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.583557 (E_RNA)
where:
Base-Base interactions energy: -135.825
where: short stacking energy: -79.568
Base-Backbone interact. energy: -0.019
local terms energy: -77.740166
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -23.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -190.266332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.266332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.266332 (E_RNA)
where:
Base-Base interactions energy: -120.676
where: short stacking energy: -62.514
Base-Backbone interact. energy: -0.146
local terms energy: -69.444832
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -13.111
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: 306
Temperature: 1.200000
Total energy: -182.095598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.095598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.095598 (E_RNA)
where:
Base-Base interactions energy: -117.077
where: short stacking energy: -52.761
Base-Backbone interact. energy: -1.687
local terms energy: -63.332037
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -10.272
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: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -192.395591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.395591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.395591 (E_RNA)
where:
Base-Base interactions energy: -122.621
where: short stacking energy: -61.250
Base-Backbone interact. energy: -0.394
local terms energy: -69.380316
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -110.860207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.860207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.860207 (E_RNA)
where:
Base-Base interactions energy: -45.565
where: short stacking energy: -45.565
Base-Backbone interact. energy: -0.199
local terms energy: -65.095576
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -90.862142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.862142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.862142 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -31.755
Base-Backbone interact. energy: -0.084
local terms energy: -53.623532
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -265.532149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.532149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.532149 (E_RNA)
where:
Base-Base interactions energy: -181.559
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.424
local terms energy: -83.549270
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -224.435337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.435337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.435337 (E_RNA)
where:
Base-Base interactions energy: -140.032
where: short stacking energy: -75.955
Base-Backbone interact. energy: -0.017
local terms energy: -84.386717
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -12.245
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: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -231.630277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.630277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.630277 (E_RNA)
where:
Base-Base interactions energy: -147.080
where: short stacking energy: -75.685
Base-Backbone interact. energy: -0.549
local terms energy: -84.000340
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -213.099208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.099208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.099208 (E_RNA)
where:
Base-Base interactions energy: -130.516
where: short stacking energy: -67.373
Base-Backbone interact. energy: -0.289
local terms energy: -82.295038
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -18.223
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: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -201.752419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.752419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.752419 (E_RNA)
where:
Base-Base interactions energy: -129.388
where: short stacking energy: -65.699
Base-Backbone interact. energy: 0.139
local terms energy: -72.503916
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -189.958579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.958579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.958579 (E_RNA)
where:
Base-Base interactions energy: -124.111
where: short stacking energy: -57.439
Base-Backbone interact. energy: 0.536
local terms energy: -66.382808
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -10.026
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: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -189.109417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.109417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.109417 (E_RNA)
where:
Base-Base interactions energy: -112.145
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.058
local terms energy: -76.906870
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -188.646637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.646637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.646637 (E_RNA)
where:
Base-Base interactions energy: -112.835
where: short stacking energy: -54.378
Base-Backbone interact. energy: -0.259
local terms energy: -75.553002
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.479
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: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -101.880210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.880210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.880210 (E_RNA)
where:
Base-Base interactions energy: -51.493
where: short stacking energy: -40.690
Base-Backbone interact. energy: -0.158
local terms energy: -50.228780
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -90.963410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.963410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.963410 (E_RNA)
where:
Base-Base interactions energy: -30.704
where: short stacking energy: -29.458
Base-Backbone interact. energy: -0.110
local terms energy: -60.148621
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -6.001
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: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -262.782341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.782341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.782341 (E_RNA)
where:
Base-Base interactions energy: -183.901
where: short stacking energy: -74.076
Base-Backbone interact. energy: -1.000
local terms energy: -77.881346
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -223.531585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.531585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.531585 (E_RNA)
where:
Base-Base interactions energy: -145.578
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.887
local terms energy: -77.066385
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -19.413
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: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -227.500840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.500840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.500840 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -74.683
Base-Backbone interact. energy: -0.006
local terms energy: -93.332378
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -22.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -202.092705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.092705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.092705 (E_RNA)
where:
Base-Base interactions energy: -130.946
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.274
local terms energy: -70.873404
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -208.806601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.806601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.806601 (E_RNA)
where:
Base-Base interactions energy: -129.859
where: short stacking energy: -63.510
Base-Backbone interact. energy: -0.977
local terms energy: -77.970026
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -190.849602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.849602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.849602 (E_RNA)
where:
Base-Base interactions energy: -110.534
where: short stacking energy: -53.442
Base-Backbone interact. energy: -0.020
local terms energy: -80.295669
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -194.900122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.900122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.900122 (E_RNA)
where:
Base-Base interactions energy: -131.062
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.962
local terms energy: -62.876015
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -174.491218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.491218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.491218 (E_RNA)
where:
Base-Base interactions energy: -114.402
where: short stacking energy: -57.820
Base-Backbone interact. energy: -0.025
local terms energy: -60.064257
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -3.011
tors. eta vs tors. theta energy: -12.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -90.861185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.861185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.861185 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -32.252
Base-Backbone interact. energy: 0.073
local terms energy: -57.680259
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.450
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: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -83.743569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.743569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.743569 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -29.195
Base-Backbone interact. energy: -0.132
local terms energy: -46.401490
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -2.006
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -278.338269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.338269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.338269 (E_RNA)
where:
Base-Base interactions energy: -184.913
where: short stacking energy: -79.654
Base-Backbone interact. energy: -0.538
local terms energy: -92.886332
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -25.824
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: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -226.405943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.405943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.405943 (E_RNA)
where:
Base-Base interactions energy: -133.343
where: short stacking energy: -66.939
Base-Backbone interact. energy: -0.641
local terms energy: -92.421930
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -21.395
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -217.481024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.481024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.481024 (E_RNA)
where:
Base-Base interactions energy: -140.803
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.539
local terms energy: -76.138652
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -203.751035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.751035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.751035 (E_RNA)
where:
Base-Base interactions energy: -129.710
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.677
local terms energy: -73.364650
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -203.435605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.435605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.435605 (E_RNA)
where:
Base-Base interactions energy: -123.425
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.102
local terms energy: -79.907907
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -202.986270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.986270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.986270 (E_RNA)
where:
Base-Base interactions energy: -126.662
where: short stacking energy: -73.313
Base-Backbone interact. energy: 0.848
local terms energy: -77.172572
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -18.847
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -187.959698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959698 (E_RNA)
where:
Base-Base interactions energy: -117.779
where: short stacking energy: -55.463
Base-Backbone interact. energy: -1.376
local terms energy: -68.804289
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -150.873270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.873270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.873270 (E_RNA)
where:
Base-Base interactions energy: -93.975
where: short stacking energy: -49.664
Base-Backbone interact. energy: -0.304
local terms energy: -56.593645
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -90.541546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.541546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.541546 (E_RNA)
where:
Base-Base interactions energy: -35.234
where: short stacking energy: -24.877
Base-Backbone interact. energy: -0.226
local terms energy: -55.081025
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -89.577241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.577241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.577241 (E_RNA)
where:
Base-Base interactions energy: -40.652
where: short stacking energy: -31.250
Base-Backbone interact. energy: 5.765
local terms energy: -54.691094
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -0.210
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: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -266.937814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.937814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.937814 (E_RNA)
where:
Base-Base interactions energy: -183.957
where: short stacking energy: -66.830
Base-Backbone interact. energy: -0.461
local terms energy: -82.519351
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -21.507
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: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -226.175423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.175423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.175423 (E_RNA)
where:
Base-Base interactions energy: -141.512
where: short stacking energy: -62.981
Base-Backbone interact. energy: -0.583
local terms energy: -84.080724
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -12.086
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: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -208.674098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.674098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.674098 (E_RNA)
where:
Base-Base interactions energy: -130.921
where: short stacking energy: -58.623
Base-Backbone interact. energy: -0.171
local terms energy: -77.581951
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -207.448565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448565 (E_RNA)
where:
Base-Base interactions energy: -125.426
where: short stacking energy: -57.794
Base-Backbone interact. energy: -0.214
local terms energy: -81.808383
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -13.163
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: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -215.716478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.716478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.716478 (E_RNA)
where:
Base-Base interactions energy: -134.145
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.571
local terms energy: -81.001073
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -200.661259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.661259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.661259 (E_RNA)
where:
Base-Base interactions energy: -124.080
where: short stacking energy: -63.121
Base-Backbone interact. energy: -0.587
local terms energy: -75.994885
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -158.713643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.713643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.713643 (E_RNA)
where:
Base-Base interactions energy: -90.103
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.358
local terms energy: -68.252381
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -6.885
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: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -193.630282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.630282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.630282 (E_RNA)
where:
Base-Base interactions energy: -120.533
where: short stacking energy: -60.049
Base-Backbone interact. energy: 0.677
local terms energy: -73.773573
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -92.083201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.083201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.083201 (E_RNA)
where:
Base-Base interactions energy: -31.538
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.702
local terms energy: -59.842980
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -11.355
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: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -81.807658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807658 (E_RNA)
where:
Base-Base interactions energy: -32.002
where: short stacking energy: -32.002
Base-Backbone interact. energy: -0.108
local terms energy: -49.697080
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -268.599406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.599406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.599406 (E_RNA)
where:
Base-Base interactions energy: -190.506
where: short stacking energy: -73.043
Base-Backbone interact. energy: -1.182
local terms energy: -76.912241
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.858
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: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -223.822827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.822827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.822827 (E_RNA)
where:
Base-Base interactions energy: -135.744
where: short stacking energy: -73.566
Base-Backbone interact. energy: -0.030
local terms energy: -88.049086
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -226.413287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.413287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.413287 (E_RNA)
where:
Base-Base interactions energy: -150.016
where: short stacking energy: -78.838
Base-Backbone interact. energy: -0.059
local terms energy: -76.338347
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -219.892092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.892092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.892092 (E_RNA)
where:
Base-Base interactions energy: -142.926
where: short stacking energy: -67.159
Base-Backbone interact. energy: 0.374
local terms energy: -77.340137
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -13.257
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: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -207.347477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.347477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.347477 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.100
local terms energy: -80.711914
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -19.526
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: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -186.355791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.355791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.355791 (E_RNA)
where:
Base-Base interactions energy: -121.324
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.023
local terms energy: -65.008933
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -158.897720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.897720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.897720 (E_RNA)
where:
Base-Base interactions energy: -99.368
where: short stacking energy: -40.577
Base-Backbone interact. energy: -1.240
local terms energy: -58.289983
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -191.020210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.020210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.020210 (E_RNA)
where:
Base-Base interactions energy: -120.369
where: short stacking energy: -60.384
Base-Backbone interact. energy: 0.753
local terms energy: -71.404130
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -6.918
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: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -94.542846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.542846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.542846 (E_RNA)
where:
Base-Base interactions energy: -34.453
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.591
local terms energy: -59.499212
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.762
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: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -80.853278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.853278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.853278 (E_RNA)
where:
Base-Base interactions energy: -35.515
where: short stacking energy: -34.681
Base-Backbone interact. energy: 5.736
local terms energy: -51.073856
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -273.552066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.552066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.552066 (E_RNA)
where:
Base-Base interactions energy: -199.101
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.547
local terms energy: -73.903698
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -16.240
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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -216.660003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.660003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.660003 (E_RNA)
where:
Base-Base interactions energy: -132.232
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.368
local terms energy: -84.059692
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -213.277904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.277904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.277904 (E_RNA)
where:
Base-Base interactions energy: -132.154
where: short stacking energy: -53.407
Base-Backbone interact. energy: -0.223
local terms energy: -80.901242
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -12.153
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: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -218.652711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.652711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.652711 (E_RNA)
where:
Base-Base interactions energy: -140.961
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.926
local terms energy: -76.766157
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -11.350
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: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -207.736956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.736956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.736956 (E_RNA)
where:
Base-Base interactions energy: -126.842
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.431
local terms energy: -80.464025
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -195.215612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.215612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.215612 (E_RNA)
where:
Base-Base interactions energy: -131.131
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.874
local terms energy: -63.210141
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -193.185276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.185276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.185276 (E_RNA)
where:
Base-Base interactions energy: -115.813
where: short stacking energy: -52.333
Base-Backbone interact. energy: -0.606
local terms energy: -76.766576
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -9.334
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: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -170.663757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.663757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.663757 (E_RNA)
where:
Base-Base interactions energy: -103.853
where: short stacking energy: -48.352
Base-Backbone interact. energy: 2.483
local terms energy: -69.294000
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -90.317618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.317618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.317618 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -32.800
Base-Backbone interact. energy: -0.386
local terms energy: -57.131561
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -3.650
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: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -105.004453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.004453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.004453 (E_RNA)
where:
Base-Base interactions energy: -44.076
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.424
local terms energy: -60.504351
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -268.491395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.491395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.491395 (E_RNA)
where:
Base-Base interactions energy: -185.726
where: short stacking energy: -67.024
Base-Backbone interact. energy: 2.827
local terms energy: -85.592460
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -215.722698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.722698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.722698 (E_RNA)
where:
Base-Base interactions energy: -131.715
where: short stacking energy: -70.041
Base-Backbone interact. energy: -0.199
local terms energy: -83.807853
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -14.599
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: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -216.207634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.207634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.207634 (E_RNA)
where:
Base-Base interactions energy: -139.103
where: short stacking energy: -70.714
Base-Backbone interact. energy: 0.873
local terms energy: -77.978404
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -209.051874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.051874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.051874 (E_RNA)
where:
Base-Base interactions energy: -125.196
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.210
local terms energy: -83.645673
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -11.353
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -206.025267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.025267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.025267 (E_RNA)
where:
Base-Base interactions energy: -133.117
where: short stacking energy: -62.706
Base-Backbone interact. energy: -0.445
local terms energy: -72.463020
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -202.861416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.861416 (E_RNA)
where:
Base-Base interactions energy: -122.475
where: short stacking energy: -63.320
Base-Backbone interact. energy: -1.029
local terms energy: -79.358148
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -190.285063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.285063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.285063 (E_RNA)
where:
Base-Base interactions energy: -119.011
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.737
local terms energy: -70.537331
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -166.006666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.006666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.006666 (E_RNA)
where:
Base-Base interactions energy: -98.512
where: short stacking energy: -45.641
Base-Backbone interact. energy: 0.087
local terms energy: -67.581559
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -9.986
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: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -97.222631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.222631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.222631 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -28.381
Base-Backbone interact. energy: 1.180
local terms energy: -65.309384
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -89.788509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.788509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.788509 (E_RNA)
where:
Base-Base interactions energy: -36.588
where: short stacking energy: -26.817
Base-Backbone interact. energy: -0.183
local terms energy: -53.017114
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -274.911339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.911339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.911339 (E_RNA)
where:
Base-Base interactions energy: -186.699
where: short stacking energy: -77.738
Base-Backbone interact. energy: 2.063
local terms energy: -90.276176
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -216.970474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.970474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.970474 (E_RNA)
where:
Base-Base interactions energy: -142.306
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.013
local terms energy: -74.651818
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -220.351783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.351783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.351783 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -60.314
Base-Backbone interact. energy: -0.264
local terms energy: -81.771800
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -213.496211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.496211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.496211 (E_RNA)
where:
Base-Base interactions energy: -139.824
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.001
local terms energy: -73.671501
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -186.098249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.098249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.098249 (E_RNA)
where:
Base-Base interactions energy: -110.831
where: short stacking energy: -57.110
Base-Backbone interact. energy: -0.244
local terms energy: -75.023914
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -200.092597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092597 (E_RNA)
where:
Base-Base interactions energy: -131.131
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.114
local terms energy: -68.848038
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.338
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: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -186.092123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.092123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.092123 (E_RNA)
where:
Base-Base interactions energy: -114.070
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.493
local terms energy: -71.529457
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -147.451335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.451335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.451335 (E_RNA)
where:
Base-Base interactions energy: -84.180
where: short stacking energy: -49.194
Base-Backbone interact. energy: -0.497
local terms energy: -62.774378
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -10.183
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: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -88.809337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.809337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.809337 (E_RNA)
where:
Base-Base interactions energy: -38.474
where: short stacking energy: -26.702
Base-Backbone interact. energy: 2.834
local terms energy: -53.169095
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: 2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -83.648182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.648182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.648182 (E_RNA)
where:
Base-Base interactions energy: -36.792
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.034
local terms energy: -46.821594
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -269.538858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.538858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.538858 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -73.417
Base-Backbone interact. energy: -1.018
local terms energy: -85.937611
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -24.399
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: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -226.430609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.430609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.430609 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.359
local terms energy: -81.424866
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -22.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -221.108791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.108791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.108791 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.202
local terms energy: -88.960519
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -20.859
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: 315
Temperature: 1.050000
Total energy: -211.300942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.300942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.300942 (E_RNA)
where:
Base-Base interactions energy: -132.827
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.503
local terms energy: -77.970973
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -189.164833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.164833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.164833 (E_RNA)
where:
Base-Base interactions energy: -109.601
where: short stacking energy: -45.831
Base-Backbone interact. energy: -0.315
local terms energy: -79.248871
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -172.333116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.333116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.333116 (E_RNA)
where:
Base-Base interactions energy: -104.968
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.126
local terms energy: -67.238692
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -9.639
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: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -197.353908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.353908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.353908 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -50.864
Base-Backbone interact. energy: -1.073
local terms energy: -64.321618
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -8.257
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: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -101.644138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.644138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.644138 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -33.341
Base-Backbone interact. energy: -0.570
local terms energy: -60.878351
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -4.327
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: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -89.598123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.598123 (E_RNA)
where:
Base-Base interactions energy: -29.982
where: short stacking energy: -29.982
Base-Backbone interact. energy: 0.066
local terms energy: -59.682183
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -8.001
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: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -90.996851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.996851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.996851 (E_RNA)
where:
Base-Base interactions energy: -28.695
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.013
local terms energy: -62.288260
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -8.165
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: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -264.500489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.500489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.500489 (E_RNA)
where:
Base-Base interactions energy: -177.462
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.499
local terms energy: -86.539389
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -225.265894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.265894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.265894 (E_RNA)
where:
Base-Base interactions energy: -141.449
where: short stacking energy: -69.479
Base-Backbone interact. energy: -1.028
local terms energy: -82.789330
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -210.721194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.721194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.721194 (E_RNA)
where:
Base-Base interactions energy: -131.283
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.008
local terms energy: -79.430867
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -13.409
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: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -216.838552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.838552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.838552 (E_RNA)
where:
Base-Base interactions energy: -135.873
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.017
local terms energy: -80.949250
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -11.891
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: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -192.757271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.757271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.757271 (E_RNA)
where:
Base-Base interactions energy: -108.431
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.804
local terms energy: -83.521866
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -18.817
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: 316
Temperature: 1.150000
Total energy: -185.770376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.770376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.770376 (E_RNA)
where:
Base-Base interactions energy: -123.474
where: short stacking energy: -56.537
Base-Backbone interact. energy: 0.099
local terms energy: -62.395077
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -16.107
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: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -178.640601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.640601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.640601 (E_RNA)
where:
Base-Base interactions energy: -110.709
where: short stacking energy: -50.509
Base-Backbone interact. energy: 0.346
local terms energy: -68.278368
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -13.434
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: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -94.084133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.084133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.084133 (E_RNA)
where:
Base-Base interactions energy: -37.396
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.575
local terms energy: -56.113652
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: 5.096
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: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -89.424718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.424718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.424718 (E_RNA)
where:
Base-Base interactions energy: -30.767
where: short stacking energy: -30.767
Base-Backbone interact. energy: -1.272
local terms energy: -57.385350
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -85.509374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509374 (E_RNA)
where:
Base-Base interactions energy: -39.904
where: short stacking energy: -26.361
Base-Backbone interact. energy: -0.911
local terms energy: -44.693933
where:
bonds (distance) C4'-P energy: -5.618
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: 1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -272.366579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.366579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.366579 (E_RNA)
where:
Base-Base interactions energy: -180.383
where: short stacking energy: -68.256
Base-Backbone interact. energy: -1.086
local terms energy: -90.897740
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -21.915
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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -221.547408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.547408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.547408 (E_RNA)
where:
Base-Base interactions energy: -136.658
where: short stacking energy: -78.202
Base-Backbone interact. energy: -0.133
local terms energy: -84.756263
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -213.069388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.069388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.069388 (E_RNA)
where:
Base-Base interactions energy: -126.417
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.025
local terms energy: -86.627253
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -203.820936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820936 (E_RNA)
where:
Base-Base interactions energy: -122.103
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.827
local terms energy: -80.890583
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -208.641954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.641954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.641954 (E_RNA)
where:
Base-Base interactions energy: -129.135
where: short stacking energy: -64.257
Base-Backbone interact. energy: -0.294
local terms energy: -79.213755
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -193.711604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.711604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.711604 (E_RNA)
where:
Base-Base interactions energy: -123.075
where: short stacking energy: -45.620
Base-Backbone interact. energy: -0.319
local terms energy: -70.317720
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -165.126980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.126980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.126980 (E_RNA)
where:
Base-Base interactions energy: -98.920
where: short stacking energy: -51.726
Base-Backbone interact. energy: -0.189
local terms energy: -66.017499
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -91.526658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.526658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.526658 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -27.363
Base-Backbone interact. energy: -0.209
local terms energy: -53.456486
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: 0.440
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: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -89.585900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.585900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.585900 (E_RNA)
where:
Base-Base interactions energy: -46.033
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.206
local terms energy: -43.346300
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -82.194220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.194220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.194220 (E_RNA)
where:
Base-Base interactions energy: -33.668
where: short stacking energy: -22.917
Base-Backbone interact. energy: -0.057
local terms energy: -48.469068
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: 5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -275.686621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.686621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.686621 (E_RNA)
where:
Base-Base interactions energy: -182.818
where: short stacking energy: -75.850
Base-Backbone interact. energy: -0.606
local terms energy: -92.262049
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -20.656
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: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -236.033137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.033137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.033137 (E_RNA)
where:
Base-Base interactions energy: -147.488
where: short stacking energy: -72.894
Base-Backbone interact. energy: -0.009
local terms energy: -88.536069
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -221.482858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.482858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.482858 (E_RNA)
where:
Base-Base interactions energy: -146.253
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.001
local terms energy: -75.229236
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -16.108
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: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -204.477035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477035 (E_RNA)
where:
Base-Base interactions energy: -117.266
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.008
local terms energy: -87.203440
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -17.508
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -204.549591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.549591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.549591 (E_RNA)
where:
Base-Base interactions energy: -135.523
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.227
local terms energy: -68.799380
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -10.132
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: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -188.210615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.210615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.210615 (E_RNA)
where:
Base-Base interactions energy: -119.112
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.008
local terms energy: -69.090852
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -167.937123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.937123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.937123 (E_RNA)
where:
Base-Base interactions energy: -101.362
where: short stacking energy: -48.241
Base-Backbone interact. energy: 0.807
local terms energy: -67.381714
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -92.232560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.232560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.232560 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -36.081
Base-Backbone interact. energy: -0.136
local terms energy: -55.484115
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -93.313656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.313656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.313656 (E_RNA)
where:
Base-Base interactions energy: -28.275
where: short stacking energy: -26.834
Base-Backbone interact. energy: -0.022
local terms energy: -65.016266
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -2.106
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: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -86.284378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.284378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.284378 (E_RNA)
where:
Base-Base interactions energy: -35.397
where: short stacking energy: -28.261
Base-Backbone interact. energy: -0.882
local terms energy: -50.005202
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.841
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: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -266.867107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.867107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.867107 (E_RNA)
where:
Base-Base interactions energy: -177.523
where: short stacking energy: -68.468
Base-Backbone interact. energy: -0.455
local terms energy: -88.889361
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -203.755042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.755042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.755042 (E_RNA)
where:
Base-Base interactions energy: -125.410
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.438
local terms energy: -77.907069
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -212.100422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.100422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.100422 (E_RNA)
where:
Base-Base interactions energy: -126.885
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.650
local terms energy: -84.565375
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -17.271
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -209.015225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015225 (E_RNA)
where:
Base-Base interactions energy: -141.229
where: short stacking energy: -62.576
Base-Backbone interact. energy: 0.397
local terms energy: -68.183426
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -14.944
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -194.918770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.918770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.918770 (E_RNA)
where:
Base-Base interactions energy: -114.405
where: short stacking energy: -54.598
Base-Backbone interact. energy: -0.094
local terms energy: -80.419800
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -200.835035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.835035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835035 (E_RNA)
where:
Base-Base interactions energy: -120.554
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.089
local terms energy: -80.192152
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.542
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: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -181.774511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.774511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.774511 (E_RNA)
where:
Base-Base interactions energy: -105.070
where: short stacking energy: -56.957
Base-Backbone interact. energy: -0.287
local terms energy: -76.417406
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -107.553300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.553300 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.054
local terms energy: -67.013778
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -114.837967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.837967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.837967 (E_RNA)
where:
Base-Base interactions energy: -47.470
where: short stacking energy: -47.082
Base-Backbone interact. energy: -0.051
local terms energy: -67.316932
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -6.429
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: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -80.651086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.651086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.651086 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.968
local terms energy: -48.924524
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -273.417379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.417379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.417379 (E_RNA)
where:
Base-Base interactions energy: -187.132
where: short stacking energy: -78.758
Base-Backbone interact. energy: -1.856
local terms energy: -84.429394
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -25.650
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: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -223.256798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.256798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.256798 (E_RNA)
where:
Base-Base interactions energy: -139.064
where: short stacking energy: -70.827
Base-Backbone interact. energy: -1.993
local terms energy: -82.200367
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -16.161
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: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -217.320183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.320183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.320183 (E_RNA)
where:
Base-Base interactions energy: -133.263
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.001
local terms energy: -84.056530
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -219.317616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.317616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.317616 (E_RNA)
where:
Base-Base interactions energy: -132.666
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.837
local terms energy: -85.815244
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -19.658
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: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -194.966477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.966477 (E_RNA)
where:
Base-Base interactions energy: -128.357
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.492
local terms energy: -66.117203
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -194.947240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.947240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.947240 (E_RNA)
where:
Base-Base interactions energy: -120.425
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.106
local terms energy: -74.416090
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -10.351
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: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -189.692626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.692626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.692626 (E_RNA)
where:
Base-Base interactions energy: -110.970
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.253
local terms energy: -78.470500
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -98.107725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.107725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.107725 (E_RNA)
where:
Base-Base interactions energy: -37.122
where: short stacking energy: -36.997
Base-Backbone interact. energy: -0.196
local terms energy: -60.789215
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -103.420586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.420586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.420586 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -30.379
Base-Backbone interact. energy: -0.003
local terms energy: -73.038555
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -93.626098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.626098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.626098 (E_RNA)
where:
Base-Base interactions energy: -35.222
where: short stacking energy: -31.657
Base-Backbone interact. energy: 0.505
local terms energy: -58.908886
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -274.792077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.792077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.792077 (E_RNA)
where:
Base-Base interactions energy: -182.862
where: short stacking energy: -80.041
Base-Backbone interact. energy: 0.364
local terms energy: -92.294382
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -219.197769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.197769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197769 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -64.575
Base-Backbone interact. energy: -0.045
local terms energy: -80.794183
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -8.569
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: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -220.015439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.015439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.015439 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.258
local terms energy: -72.026824
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -17.647
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: 321
Temperature: 1.050000
Total energy: -218.009448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.009448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.009448 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -66.945
Base-Backbone interact. energy: -0.013
local terms energy: -76.356138
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -19.664
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: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -198.186954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.186954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.186954 (E_RNA)
where:
Base-Base interactions energy: -127.542
where: short stacking energy: -65.041
Base-Backbone interact. energy: -1.735
local terms energy: -68.909852
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.180
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: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -189.625820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.625820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.625820 (E_RNA)
where:
Base-Base interactions energy: -115.390
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.627
local terms energy: -73.608348
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -14.028
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: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -188.783247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.783247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.783247 (E_RNA)
where:
Base-Base interactions energy: -113.303
where: short stacking energy: -54.149
Base-Backbone interact. energy: -0.127
local terms energy: -75.353002
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -14.354
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: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -94.521526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.521526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.521526 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -15.956
Base-Backbone interact. energy: -1.100
local terms energy: -52.840001
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: 7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -95.311954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.311954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.311954 (E_RNA)
where:
Base-Base interactions energy: -35.530
where: short stacking energy: -35.530
Base-Backbone interact. energy: -0.059
local terms energy: -59.723700
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -12.000
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: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -82.751826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.751826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.751826 (E_RNA)
where:
Base-Base interactions energy: -29.888
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.412
local terms energy: -52.451925
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -287.164487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.164487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.164487 (E_RNA)
where:
Base-Base interactions energy: -191.375
where: short stacking energy: -75.337
Base-Backbone interact. energy: -0.984
local terms energy: -94.805293
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -24.696
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: 322
Temperature: 0.950000
Total energy: -215.805840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.805840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.805840 (E_RNA)
where:
Base-Base interactions energy: -136.252
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.339
local terms energy: -79.214172
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -207.420591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.420591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.420591 (E_RNA)
where:
Base-Base interactions energy: -130.457
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.427
local terms energy: -76.536793
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -206.891512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.891512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.891512 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.176
local terms energy: -76.315901
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -10.767
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: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -207.772603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.772603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.772603 (E_RNA)
where:
Base-Base interactions energy: -130.331
where: short stacking energy: -59.666
Base-Backbone interact. energy: 0.351
local terms energy: -77.792605
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -185.595664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.595664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.595664 (E_RNA)
where:
Base-Base interactions energy: -107.240
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.281
local terms energy: -78.074307
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -190.647630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.647630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.647630 (E_RNA)
where:
Base-Base interactions energy: -124.740
where: short stacking energy: -61.486
Base-Backbone interact. energy: 2.347
local terms energy: -68.255287
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.526
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: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -103.582387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.582387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.582387 (E_RNA)
where:
Base-Base interactions energy: -59.029
where: short stacking energy: -43.465
Base-Backbone interact. energy: -0.306
local terms energy: -44.247104
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -83.555149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.555149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.555149 (E_RNA)
where:
Base-Base interactions energy: -24.247
where: short stacking energy: -24.247
Base-Backbone interact. energy: -0.237
local terms energy: -59.071734
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -90.944743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.944743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.944743 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -23.518
Base-Backbone interact. energy: -0.578
local terms energy: -60.234988
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.949
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: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -265.965197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.965197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.965197 (E_RNA)
where:
Base-Base interactions energy: -181.146
where: short stacking energy: -79.226
Base-Backbone interact. energy: -0.561
local terms energy: -84.257898
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -14.896
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: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -215.994387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.994387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.994387 (E_RNA)
where:
Base-Base interactions energy: -134.371
where: short stacking energy: -65.622
Base-Backbone interact. energy: -1.022
local terms energy: -80.601089
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -11.983
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -210.562683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.562683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.562683 (E_RNA)
where:
Base-Base interactions energy: -129.134
where: short stacking energy: -69.071
Base-Backbone interact. energy: -1.007
local terms energy: -80.421424
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -20.031
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: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -218.275625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.275625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.275625 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.053
local terms energy: -71.723896
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -13.782
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: 323
Temperature: 1.100000
Total energy: -199.195140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.195140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.195140 (E_RNA)
where:
Base-Base interactions energy: -121.396
where: short stacking energy: -60.365
Base-Backbone interact. energy: -0.654
local terms energy: -77.144312
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -9.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -195.282647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.282647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.282647 (E_RNA)
where:
Base-Base interactions energy: -118.952
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.140
local terms energy: -76.190415
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -17.955
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: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -175.946047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.946047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.946047 (E_RNA)
where:
Base-Base interactions energy: -102.774
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.113
local terms energy: -73.059184
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -14.664
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: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -90.207408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.207408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.207408 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -28.903
Base-Backbone interact. energy: -0.120
local terms energy: -57.930386
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -1.944
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: 323
Temperature: 1.300000
Total energy: -99.942032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.942032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.942032 (E_RNA)
where:
Base-Base interactions energy: -45.775
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.397
local terms energy: -53.770128
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -91.659295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.659295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.659295 (E_RNA)
where:
Base-Base interactions energy: -23.594
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.122
local terms energy: -67.943321
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -267.792574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.792574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.792574 (E_RNA)
where:
Base-Base interactions energy: -176.818
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.548
local terms energy: -90.426747
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -16.171
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: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -217.469963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.469963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.469963 (E_RNA)
where:
Base-Base interactions energy: -137.026
where: short stacking energy: -71.364
Base-Backbone interact. energy: -0.838
local terms energy: -79.605967
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -19.106
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: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -219.403344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.403344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.403344 (E_RNA)
where:
Base-Base interactions energy: -144.526
where: short stacking energy: -66.677
Base-Backbone interact. energy: -0.127
local terms energy: -74.750161
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.399
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: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -205.621088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.621088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.621088 (E_RNA)
where:
Base-Base interactions energy: -126.107
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.578
local terms energy: -78.936147
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -12.655
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: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -196.612665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.612665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.612665 (E_RNA)
where:
Base-Base interactions energy: -123.037
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.023
local terms energy: -73.552693
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -197.016915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.016915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.016915 (E_RNA)
where:
Base-Base interactions energy: -130.673
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.097
local terms energy: -66.246660
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -187.530259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.530259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.530259 (E_RNA)
where:
Base-Base interactions energy: -120.909
where: short stacking energy: -57.504
Base-Backbone interact. energy: 4.486
local terms energy: -71.107378
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -14.689
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: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -92.818386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.818386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.818386 (E_RNA)
where:
Base-Base interactions energy: -38.714
where: short stacking energy: -26.789
Base-Backbone interact. energy: 0.427
local terms energy: -54.531770
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: 0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -91.660449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.660449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.660449 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -31.569
Base-Backbone interact. energy: -0.258
local terms energy: -55.801166
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -82.409996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.409996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.409996 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -18.489
Base-Backbone interact. energy: -0.531
local terms energy: -43.372832
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: 1.894
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: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -269.659604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.659604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.659604 (E_RNA)
where:
Base-Base interactions energy: -185.864
where: short stacking energy: -78.485
Base-Backbone interact. energy: -0.659
local terms energy: -83.136815
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -22.215
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: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -222.387167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.387167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.387167 (E_RNA)
where:
Base-Base interactions energy: -142.184
where: short stacking energy: -59.176
Base-Backbone interact. energy: -0.063
local terms energy: -80.140090
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -219.146094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146094 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.021
local terms energy: -83.603158
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -213.212823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.212823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.212823 (E_RNA)
where:
Base-Base interactions energy: -139.285
where: short stacking energy: -55.784
Base-Backbone interact. energy: -1.151
local terms energy: -72.777064
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -204.374785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.374785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.374785 (E_RNA)
where:
Base-Base interactions energy: -126.575
where: short stacking energy: -65.646
Base-Backbone interact. energy: 1.283
local terms energy: -79.082636
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.613
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: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -203.390632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.390632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.390632 (E_RNA)
where:
Base-Base interactions energy: -136.470
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.077
local terms energy: -66.843133
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -7.614
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -202.323129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.323129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.323129 (E_RNA)
where:
Base-Base interactions energy: -128.933
where: short stacking energy: -67.078
Base-Backbone interact. energy: -0.008
local terms energy: -73.382550
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -95.275389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.275389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.275389 (E_RNA)
where:
Base-Base interactions energy: -28.798
where: short stacking energy: -22.359
Base-Backbone interact. energy: -0.237
local terms energy: -66.240421
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -121.959345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.959345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.959345 (E_RNA)
where:
Base-Base interactions energy: -61.119
where: short stacking energy: -24.814
Base-Backbone interact. energy: -0.091
local terms energy: -60.749675
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.729
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: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -80.516865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.516865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.516865 (E_RNA)
where:
Base-Base interactions energy: -23.958
where: short stacking energy: -23.958
Base-Backbone interact. energy: -0.711
local terms energy: -55.848115
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -270.344090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.344090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.344090 (E_RNA)
where:
Base-Base interactions energy: -179.934
where: short stacking energy: -74.787
Base-Backbone interact. energy: -0.401
local terms energy: -90.008229
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -236.834301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.834301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.834301 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.047
local terms energy: -86.699177
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -210.806304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.806304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.806304 (E_RNA)
where:
Base-Base interactions energy: -125.163
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.124
local terms energy: -85.520022
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -19.004
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: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -203.247100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.247100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.247100 (E_RNA)
where:
Base-Base interactions energy: -134.971
where: short stacking energy: -66.862
Base-Backbone interact. energy: -0.101
local terms energy: -68.174959
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -205.277127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.277127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.277127 (E_RNA)
where:
Base-Base interactions energy: -127.498
where: short stacking energy: -65.902
Base-Backbone interact. energy: -0.406
local terms energy: -77.372865
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -189.896108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.896108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.896108 (E_RNA)
where:
Base-Base interactions energy: -116.888
where: short stacking energy: -54.513
Base-Backbone interact. energy: 1.026
local terms energy: -74.034213
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -190.265793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.265793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.265793 (E_RNA)
where:
Base-Base interactions energy: -113.886
where: short stacking energy: -55.583
Base-Backbone interact. energy: -0.348
local terms energy: -76.031035
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -14.677
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: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -100.905122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.905122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.905122 (E_RNA)
where:
Base-Base interactions energy: -37.909
where: short stacking energy: -34.968
Base-Backbone interact. energy: 0.640
local terms energy: -63.636071
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -167.200557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.200557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.200557 (E_RNA)
where:
Base-Base interactions energy: -104.414
where: short stacking energy: -50.499
Base-Backbone interact. energy: -0.749
local terms energy: -62.037807
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -9.006
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: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -90.473510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.473510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.473510 (E_RNA)
where:
Base-Base interactions energy: -32.475
where: short stacking energy: -32.475
Base-Backbone interact. energy: -0.164
local terms energy: -57.833658
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: 1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -273.865442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.865442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.865442 (E_RNA)
where:
Base-Base interactions energy: -182.352
where: short stacking energy: -79.385
Base-Backbone interact. energy: -0.458
local terms energy: -91.054713
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -20.915
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: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -232.413005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.413005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.413005 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -64.858
Base-Backbone interact. energy: 0.278
local terms energy: -78.907242
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -216.142443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.142443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.142443 (E_RNA)
where:
Base-Base interactions energy: -136.284
where: short stacking energy: -74.814
Base-Backbone interact. energy: -0.871
local terms energy: -78.987700
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -14.962
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: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -211.865053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.865053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.865053 (E_RNA)
where:
Base-Base interactions energy: -129.563
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.001
local terms energy: -82.300912
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -22.177
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: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -207.153171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.153171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.153171 (E_RNA)
where:
Base-Base interactions energy: -126.655
where: short stacking energy: -60.564
Base-Backbone interact. energy: -0.572
local terms energy: -79.925492
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -210.801611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.801611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.801611 (E_RNA)
where:
Base-Base interactions energy: -124.487
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.062
local terms energy: -86.253454
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -189.480889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.480889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.480889 (E_RNA)
where:
Base-Base interactions energy: -111.411
where: short stacking energy: -48.316
Base-Backbone interact. energy: -0.262
local terms energy: -77.808176
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -186.733658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.733658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.733658 (E_RNA)
where:
Base-Base interactions energy: -122.344
where: short stacking energy: -50.512
Base-Backbone interact. energy: -0.657
local terms energy: -63.733312
where:
bonds (distance) C4'-P energy: -7.074
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -95.629384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.629384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.629384 (E_RNA)
where:
Base-Base interactions energy: -38.365
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.008
local terms energy: -57.255706
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: 1.333
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: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -92.238230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.238230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.238230 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -28.510
Base-Backbone interact. energy: -0.121
local terms energy: -61.378659
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -224.038781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.038781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.038781 (E_RNA)
where:
Base-Base interactions energy: -146.324
where: short stacking energy: -64.255
Base-Backbone interact. energy: -0.375
local terms energy: -77.339596
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -271.663276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.663276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.663276 (E_RNA)
where:
Base-Base interactions energy: -182.971
where: short stacking energy: -77.705
Base-Backbone interact. energy: -0.220
local terms energy: -88.473120
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -200.534256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.534256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.534256 (E_RNA)
where:
Base-Base interactions energy: -119.120
where: short stacking energy: -54.252
Base-Backbone interact. energy: 0.437
local terms energy: -81.851463
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -12.151
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: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -210.442516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.442516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.442516 (E_RNA)
where:
Base-Base interactions energy: -129.221
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.026
local terms energy: -81.195105
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -202.959532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959532 (E_RNA)
where:
Base-Base interactions energy: -134.027
where: short stacking energy: -70.727
Base-Backbone interact. energy: 0.789
local terms energy: -69.720944
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -196.587816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.587816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.587816 (E_RNA)
where:
Base-Base interactions energy: -122.170
where: short stacking energy: -44.636
Base-Backbone interact. energy: -0.459
local terms energy: -73.959154
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -181.962974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.962974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.962974 (E_RNA)
where:
Base-Base interactions energy: -107.533
where: short stacking energy: -47.002
Base-Backbone interact. energy: -0.093
local terms energy: -74.336245
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -10.592
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: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -194.107962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.107962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.107962 (E_RNA)
where:
Base-Base interactions energy: -117.467
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.349
local terms energy: -76.292252
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -10.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -84.696543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.696543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.696543 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -24.977
Base-Backbone interact. energy: -0.416
local terms energy: -45.618514
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -7.336
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: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -98.445790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.445790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.445790 (E_RNA)
where:
Base-Base interactions energy: -41.304
where: short stacking energy: -40.539
Base-Backbone interact. energy: -0.034
local terms energy: -57.107810
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -215.917084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.917084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.917084 (E_RNA)
where:
Base-Base interactions energy: -137.714
where: short stacking energy: -59.051
Base-Backbone interact. energy: -0.732
local terms energy: -77.471554
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -268.907412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.907412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.907412 (E_RNA)
where:
Base-Base interactions energy: -181.213
where: short stacking energy: -68.849
Base-Backbone interact. energy: -0.433
local terms energy: -87.261107
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -212.922467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.922467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.922467 (E_RNA)
where:
Base-Base interactions energy: -137.123
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.057
local terms energy: -75.742464
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -220.075937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.075937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.075937 (E_RNA)
where:
Base-Base interactions energy: -131.739
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.066
local terms energy: -88.271290
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -203.849824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.849824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.849824 (E_RNA)
where:
Base-Base interactions energy: -123.563
where: short stacking energy: -59.506
Base-Backbone interact. energy: 0.714
local terms energy: -81.000378
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -174.306112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.306112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.306112 (E_RNA)
where:
Base-Base interactions energy: -102.342
where: short stacking energy: -49.785
Base-Backbone interact. energy: -0.180
local terms energy: -71.784396
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -12.158
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: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -196.236938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.236938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.236938 (E_RNA)
where:
Base-Base interactions energy: -121.285
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.083
local terms energy: -74.869159
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -15.948
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: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -183.632609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.632609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.632609 (E_RNA)
where:
Base-Base interactions energy: -117.530
where: short stacking energy: -48.774
Base-Backbone interact. energy: -1.304
local terms energy: -64.798703
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -89.725262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.725262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.725262 (E_RNA)
where:
Base-Base interactions energy: -37.032
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.555
local terms energy: -52.138051
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -0.175
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: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -101.751093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.751093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.751093 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.233
local terms energy: -62.087950
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -264.165251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.165251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.165251 (E_RNA)
where:
Base-Base interactions energy: -179.824
where: short stacking energy: -72.844
Base-Backbone interact. energy: -0.760
local terms energy: -83.580983
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -22.476
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: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -218.005715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.005715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.005715 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.004
local terms energy: -84.029586
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -18.564
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: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -208.304611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.304611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.304611 (E_RNA)
where:
Base-Base interactions energy: -131.703
where: short stacking energy: -60.149
Base-Backbone interact. energy: 0.336
local terms energy: -76.938499
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -12.537
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: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -211.131127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.131127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.131127 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -63.912
Base-Backbone interact. energy: 0.536
local terms energy: -77.534541
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -202.150575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.150575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.150575 (E_RNA)
where:
Base-Base interactions energy: -121.123
where: short stacking energy: -58.688
Base-Backbone interact. energy: -0.258
local terms energy: -80.769535
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -192.988177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988177 (E_RNA)
where:
Base-Base interactions energy: -116.561
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.025
local terms energy: -76.402439
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -17.778
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: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -194.874513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.874513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.874513 (E_RNA)
where:
Base-Base interactions energy: -125.181
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.456
local terms energy: -69.237402
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -179.740348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.740348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.740348 (E_RNA)
where:
Base-Base interactions energy: -109.206
where: short stacking energy: -50.042
Base-Backbone interact. energy: -0.066
local terms energy: -70.468857
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -91.426797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.426797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.426797 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.118
local terms energy: -53.584945
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -86.582884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.582884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.582884 (E_RNA)
where:
Base-Base interactions energy: -28.304
where: short stacking energy: -19.915
Base-Backbone interact. energy: -0.201
local terms energy: -58.077633
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: 1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -270.826654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.826654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.826654 (E_RNA)
where:
Base-Base interactions energy: -184.564
where: short stacking energy: -70.397
Base-Backbone interact. energy: 0.486
local terms energy: -86.748080
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -213.478611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.478611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.478611 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.034
local terms energy: -85.824417
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -223.105815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.105815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.105815 (E_RNA)
where:
Base-Base interactions energy: -148.235
where: short stacking energy: -72.949
Base-Backbone interact. energy: -0.043
local terms energy: -74.827799
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -208.346023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.346023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.346023 (E_RNA)
where:
Base-Base interactions energy: -134.241
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.102
local terms energy: -74.002865
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -9.381
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: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -203.759419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.759419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.759419 (E_RNA)
where:
Base-Base interactions energy: -127.857
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.309
local terms energy: -75.593517
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -198.163380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.163380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.163380 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.180
local terms energy: -75.663628
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -180.819706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.819706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.819706 (E_RNA)
where:
Base-Base interactions energy: -109.056
where: short stacking energy: -49.986
Base-Backbone interact. energy: -0.659
local terms energy: -71.104600
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -181.621935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.621935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.621935 (E_RNA)
where:
Base-Base interactions energy: -125.112
where: short stacking energy: -50.496
Base-Backbone interact. energy: 0.219
local terms energy: -56.729274
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -3.295
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: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -97.450502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.450502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.450502 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -32.298
Base-Backbone interact. energy: -0.123
local terms energy: -61.389040
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -100.177648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.177648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.177648 (E_RNA)
where:
Base-Base interactions energy: -45.746
where: short stacking energy: -17.156
Base-Backbone interact. energy: 1.167
local terms energy: -55.598535
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: 2.915
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: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -269.285535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.285535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.285535 (E_RNA)
where:
Base-Base interactions energy: -180.593
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.684
local terms energy: -88.008656
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -220.281585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.281585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.281585 (E_RNA)
where:
Base-Base interactions energy: -134.776
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.001
local terms energy: -85.504585
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -209.991846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.991846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.991846 (E_RNA)
where:
Base-Base interactions energy: -137.165
where: short stacking energy: -75.034
Base-Backbone interact. energy: -0.119
local terms energy: -72.708253
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -19.589
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: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -215.922562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.922562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.922562 (E_RNA)
where:
Base-Base interactions energy: -134.284
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.138
local terms energy: -81.501241
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -19.950
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: 332
Temperature: 1.100000
Total energy: -202.081029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.081029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.081029 (E_RNA)
where:
Base-Base interactions energy: -126.122
where: short stacking energy: -58.553
Base-Backbone interact. energy: 0.603
local terms energy: -76.562472
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -207.120271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.120271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.120271 (E_RNA)
where:
Base-Base interactions energy: -129.102
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.261
local terms energy: -77.757380
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -177.725267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.725267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.725267 (E_RNA)
where:
Base-Base interactions energy: -112.732
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.962
local terms energy: -64.031809
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -187.312317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.312317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.312317 (E_RNA)
where:
Base-Base interactions energy: -114.014
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.809
local terms energy: -72.489474
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -93.982027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.982027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.982027 (E_RNA)
where:
Base-Base interactions energy: -39.077
where: short stacking energy: -27.826
Base-Backbone interact. energy: -0.909
local terms energy: -53.995740
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -84.516371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.516371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.516371 (E_RNA)
where:
Base-Base interactions energy: -37.219
where: short stacking energy: -29.124
Base-Backbone interact. energy: -0.162
local terms energy: -47.135389
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -9.803
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: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -272.489934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.489934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.489934 (E_RNA)
where:
Base-Base interactions energy: -184.650
where: short stacking energy: -77.026
Base-Backbone interact. energy: -0.436
local terms energy: -87.403994
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -221.474120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.474120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.474120 (E_RNA)
where:
Base-Base interactions energy: -127.930
where: short stacking energy: -67.526
Base-Backbone interact. energy: -0.002
local terms energy: -93.541680
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -22.471
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -221.557281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.557281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.557281 (E_RNA)
where:
Base-Base interactions energy: -141.223
where: short stacking energy: -70.539
Base-Backbone interact. energy: -0.925
local terms energy: -79.408913
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -204.077531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.077531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.077531 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.209
local terms energy: -84.918837
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -22.526
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: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -203.615716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.615716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.615716 (E_RNA)
where:
Base-Base interactions energy: -126.597
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.295
local terms energy: -76.724021
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -193.754755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.754755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.754755 (E_RNA)
where:
Base-Base interactions energy: -122.606
where: short stacking energy: -59.822
Base-Backbone interact. energy: -0.127
local terms energy: -71.022010
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -15.625
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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -162.908203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.908203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.908203 (E_RNA)
where:
Base-Base interactions energy: -102.556
where: short stacking energy: -52.756
Base-Backbone interact. energy: -0.486
local terms energy: -59.866349
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -181.977514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.977514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.977514 (E_RNA)
where:
Base-Base interactions energy: -121.572
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.083
local terms energy: -60.323024
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -4.050
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -103.151982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.151982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.151982 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -34.739
Base-Backbone interact. energy: -0.173
local terms energy: -65.130533
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -91.403670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.403670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.403670 (E_RNA)
where:
Base-Base interactions energy: -28.482
where: short stacking energy: -28.159
Base-Backbone interact. energy: -0.185
local terms energy: -62.737335
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -269.299900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.299900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.299900 (E_RNA)
where:
Base-Base interactions energy: -178.866
where: short stacking energy: -69.557
Base-Backbone interact. energy: 0.464
local terms energy: -90.897690
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -22.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -225.697976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.697976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.697976 (E_RNA)
where:
Base-Base interactions energy: -146.555
where: short stacking energy: -64.298
Base-Backbone interact. energy: -0.521
local terms energy: -78.622264
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -17.501
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: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -220.369619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.369619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.369619 (E_RNA)
where:
Base-Base interactions energy: -138.211
where: short stacking energy: -71.658
Base-Backbone interact. energy: -0.638
local terms energy: -81.519768
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -210.944316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.944316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.944316 (E_RNA)
where:
Base-Base interactions energy: -124.043
where: short stacking energy: -67.958
Base-Backbone interact. energy: -0.158
local terms energy: -86.743406
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -13.934
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: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -200.555819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.555819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.555819 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.114
local terms energy: -78.349326
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -11.367
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: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -197.918680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.918680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.918680 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -50.113
Base-Backbone interact. energy: -0.604
local terms energy: -69.271022
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -13.662
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: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -202.678870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.678870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.678870 (E_RNA)
where:
Base-Base interactions energy: -129.552
where: short stacking energy: -62.664
Base-Backbone interact. energy: -0.776
local terms energy: -72.351428
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -174.288792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.288792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.288792 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -55.925
Base-Backbone interact. energy: -0.186
local terms energy: -64.366364
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -12.279
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: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -100.363597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.363597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.363597 (E_RNA)
where:
Base-Base interactions energy: -43.141
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.277
local terms energy: -56.945238
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -7.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -85.768535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.768535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.768535 (E_RNA)
where:
Base-Base interactions energy: -24.649
where: short stacking energy: -24.554
Base-Backbone interact. energy: -1.963
local terms energy: -59.156457
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -276.702852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.702852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.702852 (E_RNA)
where:
Base-Base interactions energy: -180.800
where: short stacking energy: -76.870
Base-Backbone interact. energy: -0.587
local terms energy: -95.315275
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -233.646443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.646443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.646443 (E_RNA)
where:
Base-Base interactions energy: -139.791
where: short stacking energy: -78.960
Base-Backbone interact. energy: -0.004
local terms energy: -93.851568
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -23.748
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: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -209.720502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.720502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.720502 (E_RNA)
where:
Base-Base interactions energy: -137.081
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.089
local terms energy: -72.550930
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -223.657118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.657118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.657118 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -72.150
Base-Backbone interact. energy: -0.068
local terms energy: -84.551608
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -209.019320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.019320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.019320 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.605
local terms energy: -73.612848
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -193.783477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.783477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.783477 (E_RNA)
where:
Base-Base interactions energy: -120.191
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.990
local terms energy: -72.602549
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -12.971
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: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -194.390316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.390316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.390316 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -53.950
Base-Backbone interact. energy: -0.293
local terms energy: -74.443302
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -13.036
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: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -181.678899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.678899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.678899 (E_RNA)
where:
Base-Base interactions energy: -112.425
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.168
local terms energy: -69.086148
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -14.154
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: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -80.187934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187934 (E_RNA)
where:
Base-Base interactions energy: -21.972
where: short stacking energy: -20.747
Base-Backbone interact. energy: -0.843
local terms energy: -57.372933
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -8.974
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: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -86.672539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.672539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.672539 (E_RNA)
where:
Base-Base interactions energy: -26.810
where: short stacking energy: -24.773
Base-Backbone interact. energy: -1.722
local terms energy: -58.140923
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -10.279
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: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -271.446084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.446084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.446084 (E_RNA)
where:
Base-Base interactions energy: -181.795
where: short stacking energy: -72.171
Base-Backbone interact. energy: -1.040
local terms energy: -88.610958
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -223.791207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.791207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.791207 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.909
local terms energy: -83.626942
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -216.456071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.456071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.456071 (E_RNA)
where:
Base-Base interactions energy: -130.154
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.001
local terms energy: -86.301607
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -21.175
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: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -211.701903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.701903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.701903 (E_RNA)
where:
Base-Base interactions energy: -143.509
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.146
local terms energy: -68.047067
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -12.657
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: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -197.708935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.708935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.708935 (E_RNA)
where:
Base-Base interactions energy: -119.720
where: short stacking energy: -61.620
Base-Backbone interact. energy: 0.809
local terms energy: -78.798482
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -193.043780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.043780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.043780 (E_RNA)
where:
Base-Base interactions energy: -118.983
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.002
local terms energy: -74.058552
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -191.512511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.512511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.512511 (E_RNA)
where:
Base-Base interactions energy: -118.673
where: short stacking energy: -48.715
Base-Backbone interact. energy: 1.049
local terms energy: -73.888849
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -13.454
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: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -192.081723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.081723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.081723 (E_RNA)
where:
Base-Base interactions energy: -122.198
where: short stacking energy: -53.326
Base-Backbone interact. energy: 0.017
local terms energy: -69.901308
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -14.437
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: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -94.222628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.222628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.222628 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.126
local terms energy: -58.023021
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -8.393
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: 336
Temperature: 1.350000
Total energy: -90.374129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.374129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.374129 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -22.435
Base-Backbone interact. energy: -0.321
local terms energy: -50.904381
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: 0.161
tors. eta vs tors. theta energy: 0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -269.734779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.734779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.734779 (E_RNA)
where:
Base-Base interactions energy: -173.912
where: short stacking energy: -75.002
Base-Backbone interact. energy: -0.512
local terms energy: -95.310993
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -218.097319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097319 (E_RNA)
where:
Base-Base interactions energy: -137.958
where: short stacking energy: -66.879
Base-Backbone interact. energy: -0.045
local terms energy: -80.094549
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -12.272
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -212.690965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.690965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.690965 (E_RNA)
where:
Base-Base interactions energy: -130.302
where: short stacking energy: -67.287
Base-Backbone interact. energy: 3.331
local terms energy: -85.720192
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -13.809
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: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -206.057170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.057170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.057170 (E_RNA)
where:
Base-Base interactions energy: -128.299
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.423
local terms energy: -77.334382
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -14.615
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: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -193.761921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.761921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.761921 (E_RNA)
where:
Base-Base interactions energy: -116.746
where: short stacking energy: -55.067
Base-Backbone interact. energy: -0.536
local terms energy: -76.479450
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -197.230915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.230915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.230915 (E_RNA)
where:
Base-Base interactions energy: -123.274
where: short stacking energy: -64.105
Base-Backbone interact. energy: -0.004
local terms energy: -73.952644
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -20.736
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: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -196.661285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.661285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.661285 (E_RNA)
where:
Base-Base interactions energy: -115.955
where: short stacking energy: -52.708
Base-Backbone interact. energy: -0.512
local terms energy: -80.194283
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -148.373109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.373109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.373109 (E_RNA)
where:
Base-Base interactions energy: -90.635
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.687
local terms energy: -57.051271
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -100.441194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.441194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.441194 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.748
local terms energy: -55.995038
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -87.303484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.303484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.303484 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -33.906
Base-Backbone interact. energy: -0.006
local terms energy: -50.926462
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: 2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -265.696075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.696075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.696075 (E_RNA)
where:
Base-Base interactions energy: -181.058
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.318
local terms energy: -84.319411
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -238.340186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.340186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.340186 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.305
local terms energy: -86.689646
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -19.790
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: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -227.564125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.564125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.564125 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -55.561
Base-Backbone interact. energy: -0.715
local terms energy: -79.011267
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -207.625989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.625989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.625989 (E_RNA)
where:
Base-Base interactions energy: -136.153
where: short stacking energy: -67.103
Base-Backbone interact. energy: -0.090
local terms energy: -71.382945
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -207.432576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.432576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.432576 (E_RNA)
where:
Base-Base interactions energy: -130.697
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.273
local terms energy: -76.462489
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -185.702165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.702165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.702165 (E_RNA)
where:
Base-Base interactions energy: -117.058
where: short stacking energy: -57.437
Base-Backbone interact. energy: -0.690
local terms energy: -67.953512
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -10.968
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: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -186.383504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.383504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.383504 (E_RNA)
where:
Base-Base interactions energy: -110.019
where: short stacking energy: -43.421
Base-Backbone interact. energy: -0.596
local terms energy: -75.768396
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -174.655194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.655194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.655194 (E_RNA)
where:
Base-Base interactions energy: -101.989
where: short stacking energy: -48.818
Base-Backbone interact. energy: 1.602
local terms energy: -74.268079
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -12.931
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: 338
Temperature: 1.300000
Total energy: -91.934430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934430 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.239
local terms energy: -49.860135
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -88.131470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.131470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.131470 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -25.726
Base-Backbone interact. energy: 0.529
local terms energy: -57.108045
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -8.055
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -3.172
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: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -266.472378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.472378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.472378 (E_RNA)
where:
Base-Base interactions energy: -181.591
where: short stacking energy: -68.127
Base-Backbone interact. energy: -1.755
local terms energy: -83.126800
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -17.898
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: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -216.853644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.853644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.853644 (E_RNA)
where:
Base-Base interactions energy: -130.929
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.123
local terms energy: -85.801600
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -14.873
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: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -245.885639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.885639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.885639 (E_RNA)
where:
Base-Base interactions energy: -159.095
where: short stacking energy: -68.021
Base-Backbone interact. energy: -1.303
local terms energy: -85.488210
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -14.855
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: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -215.313501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.313501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.313501 (E_RNA)
where:
Base-Base interactions energy: -136.038
where: short stacking energy: -65.862
Base-Backbone interact. energy: -0.191
local terms energy: -79.084483
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -16.828
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: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -205.995759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.995759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.995759 (E_RNA)
where:
Base-Base interactions energy: -132.836
where: short stacking energy: -62.723
Base-Backbone interact. energy: -0.140
local terms energy: -73.019834
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -12.964
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: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -194.481310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.481310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.481310 (E_RNA)
where:
Base-Base interactions energy: -130.806
where: short stacking energy: -60.799
Base-Backbone interact. energy: -0.438
local terms energy: -63.237493
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -196.782364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.782364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.782364 (E_RNA)
where:
Base-Base interactions energy: -129.836
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.211
local terms energy: -66.735801
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -174.584323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.584323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.584323 (E_RNA)
where:
Base-Base interactions energy: -104.060
where: short stacking energy: -46.185
Base-Backbone interact. energy: -0.121
local terms energy: -70.403588
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -94.154656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.154656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.154656 (E_RNA)
where:
Base-Base interactions energy: -36.819
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.222
local terms energy: -57.113283
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: 0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -93.451842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451842 (E_RNA)
where:
Base-Base interactions energy: -38.924
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.546
local terms energy: -53.981575
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -263.095367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.095367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.095367 (E_RNA)
where:
Base-Base interactions energy: -175.559
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.100
local terms energy: -87.435766
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -216.868451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.868451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.868451 (E_RNA)
where:
Base-Base interactions energy: -133.083
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.010
local terms energy: -83.775315
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -235.774284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.774284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.774284 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -76.851
Base-Backbone interact. energy: 1.011
local terms energy: -66.668412
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -19.110
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: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -206.017779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.017779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.017779 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -63.634
Base-Backbone interact. energy: -0.073
local terms energy: -76.135793
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -13.126
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: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -201.341366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.341366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.341366 (E_RNA)
where:
Base-Base interactions energy: -121.582
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.181
local terms energy: -79.578769
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -13.828
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: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -198.041746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.041746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.041746 (E_RNA)
where:
Base-Base interactions energy: -116.428
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.119
local terms energy: -81.494921
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -19.104
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: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -193.185390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.185390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.185390 (E_RNA)
where:
Base-Base interactions energy: -115.630
where: short stacking energy: -47.600
Base-Backbone interact. energy: -0.149
local terms energy: -77.406107
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -14.907
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: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -181.533814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.533814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.533814 (E_RNA)
where:
Base-Base interactions energy: -111.208
where: short stacking energy: -57.272
Base-Backbone interact. energy: -0.424
local terms energy: -69.901254
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -96.366167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.366167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.366167 (E_RNA)
where:
Base-Base interactions energy: -34.882
where: short stacking energy: -35.882
Base-Backbone interact. energy: -0.409
local terms energy: -61.075891
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -5.938
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: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -98.985406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.985406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.985406 (E_RNA)
where:
Base-Base interactions energy: -37.519
where: short stacking energy: -32.756
Base-Backbone interact. energy: 0.290
local terms energy: -61.756806
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -269.577382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.577382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.577382 (E_RNA)
where:
Base-Base interactions energy: -187.386
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.603
local terms energy: -81.588374
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -8.199
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: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -240.955703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.955703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.955703 (E_RNA)
where:
Base-Base interactions energy: -153.432
where: short stacking energy: -72.602
Base-Backbone interact. energy: -0.850
local terms energy: -86.673467
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -13.006
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: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -220.111038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.111038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.111038 (E_RNA)
where:
Base-Base interactions energy: -145.510
where: short stacking energy: -74.722
Base-Backbone interact. energy: -0.475
local terms energy: -74.126552
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -201.483415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.483415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.483415 (E_RNA)
where:
Base-Base interactions energy: -124.384
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.047
local terms energy: -77.052459
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.302
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: 5, replica: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -203.571024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.571024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.571024 (E_RNA)
where:
Base-Base interactions energy: -126.683
where: short stacking energy: -65.603
Base-Backbone interact. energy: -0.033
local terms energy: -76.854370
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -13.111
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: 341
Temperature: 1.150000
Total energy: -196.856298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.856298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.856298 (E_RNA)
where:
Base-Base interactions energy: -124.158
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.422
local terms energy: -72.276579
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -19.608
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -183.326853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.326853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.326853 (E_RNA)
where:
Base-Base interactions energy: -124.376
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.726
local terms energy: -58.225000
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -181.230931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.230931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.230931 (E_RNA)
where:
Base-Base interactions energy: -114.571
where: short stacking energy: -46.224
Base-Backbone interact. energy: -0.190
local terms energy: -66.470310
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -96.142432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.142432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.142432 (E_RNA)
where:
Base-Base interactions energy: -50.315
where: short stacking energy: -41.356
Base-Backbone interact. energy: -0.084
local terms energy: -45.743167
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -7.358
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: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -96.021690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.021690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.021690 (E_RNA)
where:
Base-Base interactions energy: -48.875
where: short stacking energy: -21.804
Base-Backbone interact. energy: 2.043
local terms energy: -49.189369
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -3.081
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: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -266.367508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.367508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.367508 (E_RNA)
where:
Base-Base interactions energy: -180.426
where: short stacking energy: -74.231
Base-Backbone interact. energy: 0.934
local terms energy: -86.875926
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -235.164928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.164928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.164928 (E_RNA)
where:
Base-Base interactions energy: -152.830
where: short stacking energy: -73.056
Base-Backbone interact. energy: -0.448
local terms energy: -81.887379
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -214.489544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489544 (E_RNA)
where:
Base-Base interactions energy: -134.995
where: short stacking energy: -59.113
Base-Backbone interact. energy: -0.428
local terms energy: -79.066431
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -13.770
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: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -211.158903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.158903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.158903 (E_RNA)
where:
Base-Base interactions energy: -134.850
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.775
local terms energy: -75.534562
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -9.858
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: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -199.065518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.065518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.065518 (E_RNA)
where:
Base-Base interactions energy: -121.353
where: short stacking energy: -66.107
Base-Backbone interact. energy: -0.146
local terms energy: -77.566229
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -204.356186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.356186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.356186 (E_RNA)
where:
Base-Base interactions energy: -129.061
where: short stacking energy: -54.615
Base-Backbone interact. energy: -0.265
local terms energy: -75.030819
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -199.157565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.157565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.157565 (E_RNA)
where:
Base-Base interactions energy: -121.324
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.239
local terms energy: -77.594734
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -178.205849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.205849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.205849 (E_RNA)
where:
Base-Base interactions energy: -113.448
where: short stacking energy: -50.433
Base-Backbone interact. energy: -0.439
local terms energy: -64.319318
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -93.704399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.704399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.704399 (E_RNA)
where:
Base-Base interactions energy: -38.264
where: short stacking energy: -25.821
Base-Backbone interact. energy: 0.090
local terms energy: -55.531034
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -10.594
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: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -91.333953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.333953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.333953 (E_RNA)
where:
Base-Base interactions energy: -44.605
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.365
local terms energy: -46.363619
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: 2.818
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: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -271.514716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.514716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.514716 (E_RNA)
where:
Base-Base interactions energy: -191.324
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.570
local terms energy: -79.620108
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -228.347122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.347122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.347122 (E_RNA)
where:
Base-Base interactions energy: -141.567
where: short stacking energy: -75.169
Base-Backbone interact. energy: -0.106
local terms energy: -86.674677
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -231.091450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.091450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.091450 (E_RNA)
where:
Base-Base interactions energy: -145.383
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.087
local terms energy: -85.621012
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -220.473555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.473555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.473555 (E_RNA)
where:
Base-Base interactions energy: -132.600
where: short stacking energy: -71.596
Base-Backbone interact. energy: -0.049
local terms energy: -87.824493
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -198.528942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.528942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.528942 (E_RNA)
where:
Base-Base interactions energy: -129.609
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.163
local terms energy: -68.757478
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.861
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: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -191.790221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.790221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.790221 (E_RNA)
where:
Base-Base interactions energy: -119.854
where: short stacking energy: -51.383
Base-Backbone interact. energy: -0.222
local terms energy: -71.713551
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -9.811
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: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -192.622606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.622606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.622606 (E_RNA)
where:
Base-Base interactions energy: -129.735
where: short stacking energy: -58.662
Base-Backbone interact. energy: 0.145
local terms energy: -63.032043
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -7.923
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: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -157.809375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.809375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.809375 (E_RNA)
where:
Base-Base interactions energy: -100.547
where: short stacking energy: -42.416
Base-Backbone interact. energy: -0.110
local terms energy: -57.152159
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -99.780406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.780406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.780406 (E_RNA)
where:
Base-Base interactions energy: -38.659
where: short stacking energy: -32.884
Base-Backbone interact. energy: 0.202
local terms energy: -61.323266
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -83.919520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.919520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.919520 (E_RNA)
where:
Base-Base interactions energy: -28.480
where: short stacking energy: -28.480
Base-Backbone interact. energy: -0.194
local terms energy: -55.245419
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -270.852884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.852884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.852884 (E_RNA)
where:
Base-Base interactions energy: -183.281
where: short stacking energy: -76.353
Base-Backbone interact. energy: -0.327
local terms energy: -87.244912
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -220.143496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.143496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.143496 (E_RNA)
where:
Base-Base interactions energy: -133.509
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.175
local terms energy: -86.459612
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -229.987773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.987773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.987773 (E_RNA)
where:
Base-Base interactions energy: -147.453
where: short stacking energy: -77.544
Base-Backbone interact. energy: -0.023
local terms energy: -82.511761
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -22.589
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: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -208.063907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063907 (E_RNA)
where:
Base-Base interactions energy: -128.828
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.006
local terms energy: -79.230402
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -11.937
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: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -194.769458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.769458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.769458 (E_RNA)
where:
Base-Base interactions energy: -123.859
where: short stacking energy: -58.782
Base-Backbone interact. energy: -0.339
local terms energy: -70.571497
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -6.704
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: 344
Temperature: 1.150000
Total energy: -189.435342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.435342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.435342 (E_RNA)
where:
Base-Base interactions energy: -118.808
where: short stacking energy: -53.164
Base-Backbone interact. energy: -0.035
local terms energy: -70.592488
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.925
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: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -180.926283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.926283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.926283 (E_RNA)
where:
Base-Base interactions energy: -109.788
where: short stacking energy: -42.897
Base-Backbone interact. energy: -0.374
local terms energy: -70.764828
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -190.704740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.704740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.704740 (E_RNA)
where:
Base-Base interactions energy: -118.314
where: short stacking energy: -54.962
Base-Backbone interact. energy: -0.233
local terms energy: -72.158084
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -93.968237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.968237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.968237 (E_RNA)
where:
Base-Base interactions energy: -39.561
where: short stacking energy: -40.561
Base-Backbone interact. energy: -0.473
local terms energy: -53.934986
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -86.466660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.466660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.466660 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -22.156
Base-Backbone interact. energy: 0.915
local terms energy: -50.504317
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -267.068338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.068338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.068338 (E_RNA)
where:
Base-Base interactions energy: -179.394
where: short stacking energy: -63.175
Base-Backbone interact. energy: -0.633
local terms energy: -87.041319
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -19.377
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: 345
Temperature: 0.950000
Total energy: -228.193679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.193679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.193679 (E_RNA)
where:
Base-Base interactions energy: -143.900
where: short stacking energy: -74.594
Base-Backbone interact. energy: -0.587
local terms energy: -83.706933
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -20.615
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: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -230.340183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.340183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.340183 (E_RNA)
where:
Base-Base interactions energy: -144.536
where: short stacking energy: -71.622
Base-Backbone interact. energy: -0.770
local terms energy: -85.033461
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -194.805269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.805269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.805269 (E_RNA)
where:
Base-Base interactions energy: -121.118
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.014
local terms energy: -73.673277
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -12.706
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: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -209.829280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.829280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.829280 (E_RNA)
where:
Base-Base interactions energy: -133.521
where: short stacking energy: -69.287
Base-Backbone interact. energy: 0.437
local terms energy: -76.744809
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -186.896034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.896034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.896034 (E_RNA)
where:
Base-Base interactions energy: -114.711
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.483
local terms energy: -71.701690
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -7.840
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: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -186.948242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.948242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.948242 (E_RNA)
where:
Base-Base interactions energy: -117.353
where: short stacking energy: -51.792
Base-Backbone interact. energy: -0.030
local terms energy: -69.564495
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -14.067
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -180.359080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.359080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.359080 (E_RNA)
where:
Base-Base interactions energy: -121.152
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.090
local terms energy: -59.116511
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -12.747
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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -93.947628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.947628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.947628 (E_RNA)
where:
Base-Base interactions energy: -34.310
where: short stacking energy: -25.513
Base-Backbone interact. energy: 0.822
local terms energy: -60.459423
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -91.086609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.086609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.086609 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -20.348
Base-Backbone interact. energy: 0.425
local terms energy: -62.949608
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -275.278839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.278839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.278839 (E_RNA)
where:
Base-Base interactions energy: -187.909
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.818
local terms energy: -86.552123
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -21.915
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: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -232.333078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.333078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.333078 (E_RNA)
where:
Base-Base interactions energy: -144.245
where: short stacking energy: -66.807
Base-Backbone interact. energy: -1.308
local terms energy: -86.779878
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -20.765
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: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -203.843575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.843575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.843575 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.264
local terms energy: -78.615418
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -13.570
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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -213.974607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.974607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.974607 (E_RNA)
where:
Base-Base interactions energy: -136.764
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.628
local terms energy: -76.582408
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -15.628
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -205.179348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.179348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.179348 (E_RNA)
where:
Base-Base interactions energy: -127.039
where: short stacking energy: -51.020
Base-Backbone interact. energy: -0.379
local terms energy: -77.760895
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -8.189
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: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -200.515891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.515891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.515891 (E_RNA)
where:
Base-Base interactions energy: -132.414
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.244
local terms energy: -67.857652
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -205.930254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.930254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.930254 (E_RNA)
where:
Base-Base interactions energy: -126.709
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.288
local terms energy: -78.933143
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.359
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: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -178.682313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.682313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.682313 (E_RNA)
where:
Base-Base interactions energy: -108.679
where: short stacking energy: -41.378
Base-Backbone interact. energy: -0.035
local terms energy: -69.968530
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -13.573
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: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -90.290239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.290239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.290239 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.121
local terms energy: -57.752379
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -85.507589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.507589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.507589 (E_RNA)
where:
Base-Base interactions energy: -26.629
where: short stacking energy: -19.558
Base-Backbone interact. energy: -0.290
local terms energy: -58.588923
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -10.870
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: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -274.327816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.327816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.327816 (E_RNA)
where:
Base-Base interactions energy: -187.376
where: short stacking energy: -77.896
Base-Backbone interact. energy: -0.701
local terms energy: -86.250669
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -22.499
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: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -210.390923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.390923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.390923 (E_RNA)
where:
Base-Base interactions energy: -126.715
where: short stacking energy: -59.039
Base-Backbone interact. energy: 0.160
local terms energy: -83.835919
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -13.998
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: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -221.365583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.365583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.365583 (E_RNA)
where:
Base-Base interactions energy: -140.855
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.132
local terms energy: -80.378554
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -11.311
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: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -208.765566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.765566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.765566 (E_RNA)
where:
Base-Base interactions energy: -122.051
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.110
local terms energy: -86.604705
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -12.348
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: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -213.707695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.707695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.707695 (E_RNA)
where:
Base-Base interactions energy: -138.334
where: short stacking energy: -62.484
Base-Backbone interact. energy: -1.001
local terms energy: -74.371881
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -201.115969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.115969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.115969 (E_RNA)
where:
Base-Base interactions energy: -125.217
where: short stacking energy: -60.962
Base-Backbone interact. energy: 0.454
local terms energy: -76.352986
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -13.873
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: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -192.892308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.892308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.892308 (E_RNA)
where:
Base-Base interactions energy: -126.256
where: short stacking energy: -66.085
Base-Backbone interact. energy: -0.794
local terms energy: -65.842516
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -175.523388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.523388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.523388 (E_RNA)
where:
Base-Base interactions energy: -102.163
where: short stacking energy: -43.807
Base-Backbone interact. energy: 0.340
local terms energy: -73.699502
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -98.851992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.851992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.851992 (E_RNA)
where:
Base-Base interactions energy: -41.771
where: short stacking energy: -23.942
Base-Backbone interact. energy: 0.430
local terms energy: -57.510851
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -5.766
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: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -82.436247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436247 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -23.244
Base-Backbone interact. energy: 0.893
local terms energy: -49.452467
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -3.622
flat angles P-C4'-P energy: -14.668
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: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -274.904701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.904701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.904701 (E_RNA)
where:
Base-Base interactions energy: -190.761
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.722
local terms energy: -83.421473
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -14.119
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: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -217.825047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.825047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.825047 (E_RNA)
where:
Base-Base interactions energy: -136.298
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.640
local terms energy: -80.886779
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -224.378473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.378473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.378473 (E_RNA)
where:
Base-Base interactions energy: -141.332
where: short stacking energy: -63.542
Base-Backbone interact. energy: 0.703
local terms energy: -83.749418
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -204.982514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.982514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.982514 (E_RNA)
where:
Base-Base interactions energy: -118.941
where: short stacking energy: -59.750
Base-Backbone interact. energy: 0.767
local terms energy: -86.809105
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -202.022441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.022441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.022441 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.147
local terms energy: -80.273490
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -189.182051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.182051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.182051 (E_RNA)
where:
Base-Base interactions energy: -119.503
where: short stacking energy: -59.956
Base-Backbone interact. energy: -0.404
local terms energy: -69.275038
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -12.492
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -193.018956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.018956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.018956 (E_RNA)
where:
Base-Base interactions energy: -121.013
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.007
local terms energy: -71.998704
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -173.054781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.054781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.054781 (E_RNA)
where:
Base-Base interactions energy: -105.610
where: short stacking energy: -37.771
Base-Backbone interact. energy: -0.254
local terms energy: -67.191283
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.508
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: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -112.809563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.809563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.809563 (E_RNA)
where:
Base-Base interactions energy: -53.384
where: short stacking energy: -28.456
Base-Backbone interact. energy: -0.105
local terms energy: -59.320884
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -91.392707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.392707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.392707 (E_RNA)
where:
Base-Base interactions energy: -22.615
where: short stacking energy: -22.615
Base-Backbone interact. energy: -0.254
local terms energy: -68.523497
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -269.755715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.755715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.755715 (E_RNA)
where:
Base-Base interactions energy: -178.774
where: short stacking energy: -77.295
Base-Backbone interact. energy: -0.516
local terms energy: -90.465814
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -22.716
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: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -231.987759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.987759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.987759 (E_RNA)
where:
Base-Base interactions energy: -144.992
where: short stacking energy: -82.345
Base-Backbone interact. energy: -0.028
local terms energy: -86.967210
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -217.005964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.005964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.005964 (E_RNA)
where:
Base-Base interactions energy: -142.755
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.626
local terms energy: -73.625477
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -20.158
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: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -211.249303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.249303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.249303 (E_RNA)
where:
Base-Base interactions energy: -134.016
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.312
local terms energy: -76.921789
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -202.674246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.674246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.674246 (E_RNA)
where:
Base-Base interactions energy: -123.503
where: short stacking energy: -49.296
Base-Backbone interact. energy: -0.808
local terms energy: -78.362908
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -190.230777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.230777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.230777 (E_RNA)
where:
Base-Base interactions energy: -110.698
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.125
local terms energy: -79.407832
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -190.535226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.535226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.535226 (E_RNA)
where:
Base-Base interactions energy: -131.546
where: short stacking energy: -61.752
Base-Backbone interact. energy: 2.299
local terms energy: -61.288092
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -190.540283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.540283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.540283 (E_RNA)
where:
Base-Base interactions energy: -130.920
where: short stacking energy: -52.536
Base-Backbone interact. energy: 0.079
local terms energy: -59.699042
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -3.471
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -88.739697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.739697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.739697 (E_RNA)
where:
Base-Base interactions energy: -27.994
where: short stacking energy: -22.456
Base-Backbone interact. energy: -0.982
local terms energy: -59.763928
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: 0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -101.269704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.269704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.269704 (E_RNA)
where:
Base-Base interactions energy: -48.261
where: short stacking energy: -30.487
Base-Backbone interact. energy: -0.631
local terms energy: -52.377997
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: 0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -268.784937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.784937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.784937 (E_RNA)
where:
Base-Base interactions energy: -176.728
where: short stacking energy: -74.120
Base-Backbone interact. energy: -0.461
local terms energy: -91.596677
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -223.074501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.074501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.074501 (E_RNA)
where:
Base-Base interactions energy: -149.436
where: short stacking energy: -70.130
Base-Backbone interact. energy: -0.318
local terms energy: -73.319605
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.468
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: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -212.938711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.938711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.938711 (E_RNA)
where:
Base-Base interactions energy: -129.053
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.067
local terms energy: -83.819196
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -17.829
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: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -203.431194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431194 (E_RNA)
where:
Base-Base interactions energy: -126.563
where: short stacking energy: -66.724
Base-Backbone interact. energy: -0.052
local terms energy: -76.816193
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -205.945537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945537 (E_RNA)
where:
Base-Base interactions energy: -122.327
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.920
local terms energy: -82.698707
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -15.775
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: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -197.502138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.502138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.502138 (E_RNA)
where:
Base-Base interactions energy: -119.998
where: short stacking energy: -63.365
Base-Backbone interact. energy: -0.112
local terms energy: -77.392300
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -18.280
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: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -191.212021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.212021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.212021 (E_RNA)
where:
Base-Base interactions energy: -125.060
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.198
local terms energy: -65.953290
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -9.124
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: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -188.470342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.470342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.470342 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.180
local terms energy: -70.609563
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -15.003
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: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -104.183281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.183281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.183281 (E_RNA)
where:
Base-Base interactions energy: -48.624
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.225
local terms energy: -55.334345
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -87.262054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.262054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.262054 (E_RNA)
where:
Base-Base interactions energy: -29.118
where: short stacking energy: -27.139
Base-Backbone interact. energy: -0.174
local terms energy: -57.970304
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -8.340
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: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -272.575742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.575742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.575742 (E_RNA)
where:
Base-Base interactions energy: -182.305
where: short stacking energy: -77.413
Base-Backbone interact. energy: -0.410
local terms energy: -89.861631
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -23.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -231.342238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.342238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.342238 (E_RNA)
where:
Base-Base interactions energy: -157.105
where: short stacking energy: -74.080
Base-Backbone interact. energy: -0.007
local terms energy: -74.230958
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -225.371395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.371395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.371395 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -73.949
Base-Backbone interact. energy: -0.042
local terms energy: -83.032920
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -21.755
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: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -202.454531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.454531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.454531 (E_RNA)
where:
Base-Base interactions energy: -124.854
where: short stacking energy: -53.201
Base-Backbone interact. energy: -0.036
local terms energy: -77.564088
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -201.334177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.334177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.334177 (E_RNA)
where:
Base-Base interactions energy: -135.852
where: short stacking energy: -49.124
Base-Backbone interact. energy: -0.192
local terms energy: -65.290432
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -189.093817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.093817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.093817 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.541
local terms energy: -73.890239
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -9.939
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: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -204.767172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.767172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.767172 (E_RNA)
where:
Base-Base interactions energy: -127.687
where: short stacking energy: -60.020
Base-Backbone interact. energy: 2.458
local terms energy: -79.537928
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -176.491601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.491601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.491601 (E_RNA)
where:
Base-Base interactions energy: -109.356
where: short stacking energy: -49.666
Base-Backbone interact. energy: -0.117
local terms energy: -67.018345
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -120.524472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.524472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.524472 (E_RNA)
where:
Base-Base interactions energy: -61.092
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.222
local terms energy: -59.209785
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -7.524
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: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -84.900272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.900272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.900272 (E_RNA)
where:
Base-Base interactions energy: -37.003
where: short stacking energy: -37.003
Base-Backbone interact. energy: -0.068
local terms energy: -47.828896
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -7.806
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: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -274.715501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.715501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.715501 (E_RNA)
where:
Base-Base interactions energy: -185.839
where: short stacking energy: -78.263
Base-Backbone interact. energy: -0.696
local terms energy: -88.180504
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -226.708887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.708887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.708887 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.006
local terms energy: -77.715679
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -212.503885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.503885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.503885 (E_RNA)
where:
Base-Base interactions energy: -130.771
where: short stacking energy: -66.813
Base-Backbone interact. energy: -0.020
local terms energy: -81.712630
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -215.353737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.353737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.353737 (E_RNA)
where:
Base-Base interactions energy: -128.992
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.466
local terms energy: -85.896287
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -199.177288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.177288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.177288 (E_RNA)
where:
Base-Base interactions energy: -120.481
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.371
local terms energy: -78.324648
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.973
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: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -192.307530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.307530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.307530 (E_RNA)
where:
Base-Base interactions energy: -120.248
where: short stacking energy: -45.593
Base-Backbone interact. energy: -0.081
local terms energy: -71.979001
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -11.973
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: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -188.159004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.159004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.159004 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -52.050
Base-Backbone interact. energy: 0.401
local terms energy: -60.227549
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -13.789
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: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -184.324474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.324474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.324474 (E_RNA)
where:
Base-Base interactions energy: -120.358
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.315
local terms energy: -63.652133
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -14.792
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: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -95.552266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.552266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.552266 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.083
local terms energy: -61.205550
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -12.201
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: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -93.686029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.686029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.686029 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -28.878
Base-Backbone interact. energy: -1.339
local terms energy: -60.126945
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -11.114
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: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -269.248062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.248062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.248062 (E_RNA)
where:
Base-Base interactions energy: -186.458
where: short stacking energy: -76.027
Base-Backbone interact. energy: -0.367
local terms energy: -82.423182
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -23.197
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: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -231.161463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.161463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.161463 (E_RNA)
where:
Base-Base interactions energy: -142.743
where: short stacking energy: -74.779
Base-Backbone interact. energy: 0.908
local terms energy: -89.326274
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -237.505157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.505157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.505157 (E_RNA)
where:
Base-Base interactions energy: -157.790
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.533
local terms energy: -79.182475
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -208.055016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.055016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.055016 (E_RNA)
where:
Base-Base interactions energy: -130.260
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.012
local terms energy: -77.783134
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -16.753
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: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -198.838145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.838145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.838145 (E_RNA)
where:
Base-Base interactions energy: -115.337
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.392
local terms energy: -83.108341
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -203.964116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.964116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.964116 (E_RNA)
where:
Base-Base interactions energy: -139.194
where: short stacking energy: -57.071
Base-Backbone interact. energy: -0.572
local terms energy: -64.198723
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -193.147476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.147476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.147476 (E_RNA)
where:
Base-Base interactions energy: -117.249
where: short stacking energy: -47.059
Base-Backbone interact. energy: -1.154
local terms energy: -74.744528
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -180.755306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.755306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.755306 (E_RNA)
where:
Base-Base interactions energy: -117.980
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.258
local terms energy: -62.516985
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -7.820
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: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -94.152831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.152831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.152831 (E_RNA)
where:
Base-Base interactions energy: -29.513
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.309
local terms energy: -64.330768
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -93.728301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.728301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.728301 (E_RNA)
where:
Base-Base interactions energy: -37.714
where: short stacking energy: -34.771
Base-Backbone interact. energy: -0.204
local terms energy: -55.809971
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -259.042847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.042847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.042847 (E_RNA)
where:
Base-Base interactions energy: -180.783
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.307
local terms energy: -77.952149
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -231.277667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.277667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.277667 (E_RNA)
where:
Base-Base interactions energy: -139.270
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.237
local terms energy: -91.770682
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -211.429033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.429033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.429033 (E_RNA)
where:
Base-Base interactions energy: -132.476
where: short stacking energy: -65.299
Base-Backbone interact. energy: -1.010
local terms energy: -77.942769
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -215.314406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.314406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.314406 (E_RNA)
where:
Base-Base interactions energy: -148.950
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.068
local terms energy: -66.295869
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -221.511709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.511709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.511709 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -58.578
Base-Backbone interact. energy: 0.141
local terms energy: -82.259183
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -205.249501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.249501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.249501 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -60.067
Base-Backbone interact. energy: -0.256
local terms energy: -79.158684
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -183.094899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.094899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.094899 (E_RNA)
where:
Base-Base interactions energy: -109.764
where: short stacking energy: -54.606
Base-Backbone interact. energy: -0.137
local terms energy: -73.193785
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -14.428
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: 354
Temperature: 1.250000
Total energy: -188.955443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.955443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.955443 (E_RNA)
where:
Base-Base interactions energy: -114.578
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.195
local terms energy: -74.182477
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -112.580268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.580268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.580268 (E_RNA)
where:
Base-Base interactions energy: -57.024
where: short stacking energy: -28.847
Base-Backbone interact. energy: 0.201
local terms energy: -55.757076
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -2.803
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: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -89.403375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403375 (E_RNA)
where:
Base-Base interactions energy: -32.930
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.575
local terms energy: -55.898053
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: 1.139
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: 355
Temperature: 0.900000
Total energy: -276.035364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.035364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.035364 (E_RNA)
where:
Base-Base interactions energy: -183.738
where: short stacking energy: -77.139
Base-Backbone interact. energy: -0.558
local terms energy: -91.740017
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -24.372
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: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -226.788241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.788241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.788241 (E_RNA)
where:
Base-Base interactions energy: -137.588
where: short stacking energy: -62.161
Base-Backbone interact. energy: -0.713
local terms energy: -88.486975
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -216.740677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.740677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.740677 (E_RNA)
where:
Base-Base interactions energy: -135.182
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.123
local terms energy: -81.434957
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -218.546759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.546759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.546759 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.092
local terms energy: -68.378476
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -212.579621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.579621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.579621 (E_RNA)
where:
Base-Base interactions energy: -144.617
where: short stacking energy: -54.006
Base-Backbone interact. energy: -0.834
local terms energy: -67.127974
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -10.799
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: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -196.939235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.939235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.939235 (E_RNA)
where:
Base-Base interactions energy: -119.602
where: short stacking energy: -58.714
Base-Backbone interact. energy: 0.349
local terms energy: -77.686344
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -192.473319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.473319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.473319 (E_RNA)
where:
Base-Base interactions energy: -116.004
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.208
local terms energy: -76.261473
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -11.912
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: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -171.826090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.826090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.826090 (E_RNA)
where:
Base-Base interactions energy: -111.092
where: short stacking energy: -48.934
Base-Backbone interact. energy: -0.302
local terms energy: -60.432320
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -5.152
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: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -137.168464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.168464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.168464 (E_RNA)
where:
Base-Base interactions energy: -80.878
where: short stacking energy: -33.024
Base-Backbone interact. energy: -0.597
local terms energy: -55.693195
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -97.014406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.014406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.014406 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.024
local terms energy: -67.552278
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -276.059057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.059057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.059057 (E_RNA)
where:
Base-Base interactions energy: -182.772
where: short stacking energy: -72.140
Base-Backbone interact. energy: -0.204
local terms energy: -93.083327
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -22.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -222.563956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.563956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.563956 (E_RNA)
where:
Base-Base interactions energy: -138.747
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.124
local terms energy: -83.693445
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -230.654652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.654652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.654652 (E_RNA)
where:
Base-Base interactions energy: -159.175
where: short stacking energy: -70.234
Base-Backbone interact. energy: -1.034
local terms energy: -70.445805
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -14.034
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: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -221.044822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.044822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.044822 (E_RNA)
where:
Base-Base interactions energy: -144.150
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.103
local terms energy: -76.791326
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.698
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: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -200.851600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.851600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.851600 (E_RNA)
where:
Base-Base interactions energy: -123.680
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.145
local terms energy: -77.026507
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -19.553
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: 356
Temperature: 1.150000
Total energy: -199.341407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.341407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.341407 (E_RNA)
where:
Base-Base interactions energy: -129.608
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.141
local terms energy: -69.591910
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -203.307754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.307754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.307754 (E_RNA)
where:
Base-Base interactions energy: -123.430
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.800
local terms energy: -79.077467
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -178.895157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.895157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.895157 (E_RNA)
where:
Base-Base interactions energy: -110.375
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.431
local terms energy: -68.089368
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -8.732
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -163.647675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.647675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.647675 (E_RNA)
where:
Base-Base interactions energy: -98.901
where: short stacking energy: -43.710
Base-Backbone interact. energy: 1.301
local terms energy: -66.047696
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -89.846757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.846757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.846757 (E_RNA)
where:
Base-Base interactions energy: -36.337
where: short stacking energy: -25.619
Base-Backbone interact. energy: -0.231
local terms energy: -53.278552
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -272.307240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.307240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.307240 (E_RNA)
where:
Base-Base interactions energy: -185.307
where: short stacking energy: -69.419
Base-Backbone interact. energy: -0.928
local terms energy: -86.071810
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -21.882
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: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -238.670314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.670314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.670314 (E_RNA)
where:
Base-Base interactions energy: -151.872
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.433
local terms energy: -86.365060
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -214.819797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.819797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.819797 (E_RNA)
where:
Base-Base interactions energy: -135.755
where: short stacking energy: -58.195
Base-Backbone interact. energy: 0.868
local terms energy: -79.932660
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -14.516
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: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -202.444256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.444256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.444256 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.033
local terms energy: -77.598598
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -203.374344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.374344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.374344 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -59.482
Base-Backbone interact. energy: -0.221
local terms energy: -79.414815
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -195.486325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.486325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.486325 (E_RNA)
where:
Base-Base interactions energy: -124.709
where: short stacking energy: -52.199
Base-Backbone interact. energy: 0.219
local terms energy: -70.996218
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -204.782761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.782761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.782761 (E_RNA)
where:
Base-Base interactions energy: -122.857
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.230
local terms energy: -81.694859
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -188.445116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.445116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.445116 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -52.339
Base-Backbone interact. energy: -0.113
local terms energy: -66.784071
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -174.337106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.337106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.337106 (E_RNA)
where:
Base-Base interactions energy: -100.613
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.126
local terms energy: -73.598297
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -86.975301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.975301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.975301 (E_RNA)
where:
Base-Base interactions energy: -31.893
where: short stacking energy: -31.723
Base-Backbone interact. energy: -0.458
local terms energy: -54.624761
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.910
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: 358
Temperature: 0.900000
Total energy: -264.311212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.311212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.311212 (E_RNA)
where:
Base-Base interactions energy: -173.376
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.597
local terms energy: -90.338541
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -220.393316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.393316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.393316 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -64.628
Base-Backbone interact. energy: -1.241
local terms energy: -84.070980
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -10.901
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: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -225.485652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.485652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.485652 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.179
local terms energy: -83.675956
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -22.040
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: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -216.874493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.874493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.874493 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.172
local terms energy: -85.641846
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -197.619309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.619309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.619309 (E_RNA)
where:
Base-Base interactions energy: -124.955
where: short stacking energy: -49.757
Base-Backbone interact. energy: 0.100
local terms energy: -72.764693
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -192.067367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.067367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.067367 (E_RNA)
where:
Base-Base interactions energy: -121.952
where: short stacking energy: -58.420
Base-Backbone interact. energy: -1.166
local terms energy: -68.949020
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -15.625
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: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -194.865514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.865514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.865514 (E_RNA)
where:
Base-Base interactions energy: -121.318
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.024
local terms energy: -73.523738
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -13.820
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: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -183.432245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.432245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.432245 (E_RNA)
where:
Base-Base interactions energy: -116.489
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.744
local terms energy: -66.199710
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -160.588115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.588115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.588115 (E_RNA)
where:
Base-Base interactions energy: -87.931
where: short stacking energy: -42.660
Base-Backbone interact. energy: -0.013
local terms energy: -72.644378
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -82.528282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528282 (E_RNA)
where:
Base-Base interactions energy: -22.978
where: short stacking energy: -19.326
Base-Backbone interact. energy: -1.227
local terms energy: -58.323266
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: 1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -275.601785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.601785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.601785 (E_RNA)
where:
Base-Base interactions energy: -185.474
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.669
local terms energy: -89.458845
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -216.701381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.701381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.701381 (E_RNA)
where:
Base-Base interactions energy: -141.090
where: short stacking energy: -74.332
Base-Backbone interact. energy: -0.044
local terms energy: -75.567447
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -14.885
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: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -215.898095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.898095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.898095 (E_RNA)
where:
Base-Base interactions energy: -131.768
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.432
local terms energy: -83.697755
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -206.571936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.571936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.571936 (E_RNA)
where:
Base-Base interactions energy: -140.281
where: short stacking energy: -73.172
Base-Backbone interact. energy: 0.132
local terms energy: -66.423820
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -8.736
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -11.004
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: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -199.534914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.534914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.534914 (E_RNA)
where:
Base-Base interactions energy: -120.212
where: short stacking energy: -65.078
Base-Backbone interact. energy: -0.118
local terms energy: -79.204114
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -193.266914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.266914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.266914 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -54.375
Base-Backbone interact. energy: 1.005
local terms energy: -75.006906
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -10.957
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: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -192.071880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.071880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.071880 (E_RNA)
where:
Base-Base interactions energy: -115.460
where: short stacking energy: -52.607
Base-Backbone interact. energy: -0.114
local terms energy: -76.497716
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -8.225
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: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -168.390040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390040 (E_RNA)
where:
Base-Base interactions energy: -108.365
where: short stacking energy: -47.390
Base-Backbone interact. energy: -0.894
local terms energy: -59.130602
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -6.188
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: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -169.679483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.679483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.679483 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -48.154
Base-Backbone interact. energy: -0.074
local terms energy: -63.162435
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -85.128960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128960 (E_RNA)
where:
Base-Base interactions energy: -23.360
where: short stacking energy: -23.360
Base-Backbone interact. energy: -0.135
local terms energy: -61.634259
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -272.029687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.029687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.029687 (E_RNA)
where:
Base-Base interactions energy: -188.120
where: short stacking energy: -75.878
Base-Backbone interact. energy: -0.340
local terms energy: -83.568972
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -220.267645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.267645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.267645 (E_RNA)
where:
Base-Base interactions energy: -146.770
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.042
local terms energy: -73.455685
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -215.276113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.276113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.276113 (E_RNA)
where:
Base-Base interactions energy: -136.427
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.790
local terms energy: -78.058965
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -202.733221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.733221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.733221 (E_RNA)
where:
Base-Base interactions energy: -128.901
where: short stacking energy: -66.044
Base-Backbone interact. energy: 0.422
local terms energy: -74.254444
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -204.560067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.560067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560067 (E_RNA)
where:
Base-Base interactions energy: -128.308
where: short stacking energy: -60.931
Base-Backbone interact. energy: -0.203
local terms energy: -76.049664
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -198.939649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.939649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.939649 (E_RNA)
where:
Base-Base interactions energy: -121.647
where: short stacking energy: -67.050
Base-Backbone interact. energy: -0.087
local terms energy: -77.205816
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -186.515428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.515428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.515428 (E_RNA)
where:
Base-Base interactions energy: -127.999
where: short stacking energy: -57.218
Base-Backbone interact. energy: -0.352
local terms energy: -58.164578
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -11.197
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: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -181.102420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.102420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.102420 (E_RNA)
where:
Base-Base interactions energy: -112.315
where: short stacking energy: -47.291
Base-Backbone interact. energy: -0.313
local terms energy: -68.474329
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -7.677
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: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -173.130363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.130363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.130363 (E_RNA)
where:
Base-Base interactions energy: -111.727
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.677
local terms energy: -60.725870
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -11.420
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: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -84.307845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.307845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.307845 (E_RNA)
where:
Base-Base interactions energy: -26.152
where: short stacking energy: -23.883
Base-Backbone interact. energy: -0.228
local terms energy: -57.927775
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -8.060
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: 361
Temperature: 0.900000
Total energy: -267.010887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.010887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.010887 (E_RNA)
where:
Base-Base interactions energy: -181.979
where: short stacking energy: -75.254
Base-Backbone interact. energy: -1.290
local terms energy: -83.742067
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -11.984
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: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -227.484032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.484032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.484032 (E_RNA)
where:
Base-Base interactions energy: -144.959
where: short stacking energy: -73.293
Base-Backbone interact. energy: -2.007
local terms energy: -80.517206
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -212.465275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465275 (E_RNA)
where:
Base-Base interactions energy: -149.793
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.121
local terms energy: -62.551710
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -14.043
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: 361
Temperature: 1.050000
Total energy: -206.969255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.969255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.969255 (E_RNA)
where:
Base-Base interactions energy: -130.391
where: short stacking energy: -62.300
Base-Backbone interact. energy: 0.949
local terms energy: -77.526747
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.181
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: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -198.290783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.290783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.290783 (E_RNA)
where:
Base-Base interactions energy: -122.052
where: short stacking energy: -60.099
Base-Backbone interact. energy: -0.169
local terms energy: -76.070097
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -189.201501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.201501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.201501 (E_RNA)
where:
Base-Base interactions energy: -117.240
where: short stacking energy: -52.835
Base-Backbone interact. energy: -0.301
local terms energy: -71.660197
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -193.778795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.778795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.778795 (E_RNA)
where:
Base-Base interactions energy: -124.699
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.101
local terms energy: -68.978233
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -13.037
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: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -184.483828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.483828 (E_RNA)
where:
Base-Base interactions energy: -115.810
where: short stacking energy: -55.509
Base-Backbone interact. energy: 0.374
local terms energy: -69.047768
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -153.354653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.354653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.354653 (E_RNA)
where:
Base-Base interactions energy: -87.159
where: short stacking energy: -42.188
Base-Backbone interact. energy: -0.550
local terms energy: -65.644992
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -10.510
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: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -95.377843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.377843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.377843 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.265
local terms energy: -54.755673
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: 1.621
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: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -272.949490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.949490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.949490 (E_RNA)
where:
Base-Base interactions energy: -184.064
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.655
local terms energy: -88.230423
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -228.533250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.533250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533250 (E_RNA)
where:
Base-Base interactions energy: -152.980
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.007
local terms energy: -75.546935
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -219.562737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.562737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.562737 (E_RNA)
where:
Base-Base interactions energy: -142.734
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.571
local terms energy: -76.258682
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -6.481
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: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -215.998347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.998347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.998347 (E_RNA)
where:
Base-Base interactions energy: -132.613
where: short stacking energy: -60.684
Base-Backbone interact. energy: -0.308
local terms energy: -83.076989
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -12.820
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: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -202.085975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.085975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.085975 (E_RNA)
where:
Base-Base interactions energy: -130.042
where: short stacking energy: -65.111
Base-Backbone interact. energy: -0.165
local terms energy: -71.878541
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -14.760
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: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -191.946082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.946082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.946082 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -54.009
Base-Backbone interact. energy: -0.099
local terms energy: -77.184687
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -12.017
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: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -191.150839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.150839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.150839 (E_RNA)
where:
Base-Base interactions energy: -120.832
where: short stacking energy: -56.204
Base-Backbone interact. energy: -0.031
local terms energy: -70.288479
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -18.855
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: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -181.057242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.057242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.057242 (E_RNA)
where:
Base-Base interactions energy: -118.533
where: short stacking energy: -59.484
Base-Backbone interact. energy: -0.232
local terms energy: -62.291897
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.358
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: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -169.168520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.168520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.168520 (E_RNA)
where:
Base-Base interactions energy: -105.209
where: short stacking energy: -51.949
Base-Backbone interact. energy: -0.091
local terms energy: -63.868989
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -5.654
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: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -90.141903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.141903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.141903 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -20.324
Base-Backbone interact. energy: -0.121
local terms energy: -62.293123
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -269.835660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.835660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.835660 (E_RNA)
where:
Base-Base interactions energy: -182.653
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.740
local terms energy: -86.442419
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -229.549661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.549661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.549661 (E_RNA)
where:
Base-Base interactions energy: -145.920
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.059
local terms energy: -83.570798
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -214.864222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.864222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.864222 (E_RNA)
where:
Base-Base interactions energy: -139.702
where: short stacking energy: -68.444
Base-Backbone interact. energy: -1.320
local terms energy: -73.842395
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -198.650076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.650076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.650076 (E_RNA)
where:
Base-Base interactions energy: -125.670
where: short stacking energy: -63.549
Base-Backbone interact. energy: 1.495
local terms energy: -74.475589
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -208.427316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.427316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427316 (E_RNA)
where:
Base-Base interactions energy: -133.974
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.207
local terms energy: -74.246943
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -195.685349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.685349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.685349 (E_RNA)
where:
Base-Base interactions energy: -120.975
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.876
local terms energy: -73.834699
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -207.457276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.457276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.457276 (E_RNA)
where:
Base-Base interactions energy: -127.251
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.895
local terms energy: -79.311254
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -11.062
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: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -189.464535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.464535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.464535 (E_RNA)
where:
Base-Base interactions energy: -131.243
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.352
local terms energy: -57.869698
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -4.608
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: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -176.831139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.831139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.831139 (E_RNA)
where:
Base-Base interactions energy: -112.780
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.090
local terms energy: -63.961071
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -111.761648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.761648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.761648 (E_RNA)
where:
Base-Base interactions energy: -58.850
where: short stacking energy: -26.708
Base-Backbone interact. energy: 0.222
local terms energy: -53.133745
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -10.480
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: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -270.818872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.818872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.818872 (E_RNA)
where:
Base-Base interactions energy: -175.471
where: short stacking energy: -73.842
Base-Backbone interact. energy: -0.591
local terms energy: -94.757067
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -219.303271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.303271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.303271 (E_RNA)
where:
Base-Base interactions energy: -140.115
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.100
local terms energy: -79.088394
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -197.757415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.757415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.757415 (E_RNA)
where:
Base-Base interactions energy: -133.180
where: short stacking energy: -57.008
Base-Backbone interact. energy: -0.657
local terms energy: -63.920088
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -5.575
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: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -217.559111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.559111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.559111 (E_RNA)
where:
Base-Base interactions energy: -136.224
where: short stacking energy: -64.331
Base-Backbone interact. energy: -1.172
local terms energy: -80.162657
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -16.195
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: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -193.078700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.078700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.078700 (E_RNA)
where:
Base-Base interactions energy: -123.826
where: short stacking energy: -56.749
Base-Backbone interact. energy: -0.319
local terms energy: -68.933462
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -201.267956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.267956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.267956 (E_RNA)
where:
Base-Base interactions energy: -119.509
where: short stacking energy: -61.271
Base-Backbone interact. energy: -0.953
local terms energy: -80.805909
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -196.793192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.793192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.793192 (E_RNA)
where:
Base-Base interactions energy: -119.992
where: short stacking energy: -62.278
Base-Backbone interact. energy: -1.250
local terms energy: -75.551248
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -185.995551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.995551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.995551 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -56.822
Base-Backbone interact. energy: -0.163
local terms energy: -65.276819
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -2.017
tors. eta vs tors. theta energy: -14.989
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: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -184.972647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.972647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.972647 (E_RNA)
where:
Base-Base interactions energy: -112.342
where: short stacking energy: -56.594
Base-Backbone interact. energy: 0.477
local terms energy: -73.107771
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -96.338927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.338927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.338927 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -28.588
Base-Backbone interact. energy: -0.014
local terms energy: -55.961207
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.256
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: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -269.835068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.835068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.835068 (E_RNA)
where:
Base-Base interactions energy: -181.796
where: short stacking energy: -81.774
Base-Backbone interact. energy: -0.632
local terms energy: -87.407095
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -212.208044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.208044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.208044 (E_RNA)
where:
Base-Base interactions energy: -132.315
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.199
local terms energy: -79.694045
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -12.885
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: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -219.192087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.192087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.192087 (E_RNA)
where:
Base-Base interactions energy: -140.939
where: short stacking energy: -62.992
Base-Backbone interact. energy: 0.162
local terms energy: -78.415516
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -211.258939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.258939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.258939 (E_RNA)
where:
Base-Base interactions energy: -141.330
where: short stacking energy: -59.210
Base-Backbone interact. energy: -0.018
local terms energy: -69.910745
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -200.242813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.242813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.242813 (E_RNA)
where:
Base-Base interactions energy: -136.618
where: short stacking energy: -56.819
Base-Backbone interact. energy: -0.076
local terms energy: -63.548743
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -7.833
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: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -200.185741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.185741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.185741 (E_RNA)
where:
Base-Base interactions energy: -134.170
where: short stacking energy: -66.478
Base-Backbone interact. energy: -0.108
local terms energy: -65.907902
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -18.487
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: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -189.245346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.245346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.245346 (E_RNA)
where:
Base-Base interactions energy: -107.882
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.518
local terms energy: -80.845112
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -200.933862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.933862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.933862 (E_RNA)
where:
Base-Base interactions energy: -121.707
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.285
local terms energy: -78.942058
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -19.224
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: 365
Temperature: 1.300000
Total energy: -177.039262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.039262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.039262 (E_RNA)
where:
Base-Base interactions energy: -110.810
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.323
local terms energy: -65.905839
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -9.532
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: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -138.071145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.071145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.071145 (E_RNA)
where:
Base-Base interactions energy: -77.847
where: short stacking energy: -33.356
Base-Backbone interact. energy: -0.845
local terms energy: -59.379274
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -264.693524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.693524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.693524 (E_RNA)
where:
Base-Base interactions energy: -172.550
where: short stacking energy: -69.186
Base-Backbone interact. energy: -0.522
local terms energy: -91.621882
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -225.401825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.401825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.401825 (E_RNA)
where:
Base-Base interactions energy: -142.835
where: short stacking energy: -74.718
Base-Backbone interact. energy: -0.047
local terms energy: -82.519863
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.656
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: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -205.093933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.093933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.093933 (E_RNA)
where:
Base-Base interactions energy: -120.589
where: short stacking energy: -63.977
Base-Backbone interact. energy: -0.096
local terms energy: -84.409356
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -13.641
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: 366
Temperature: 1.050000
Total energy: -203.502445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.502445 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -62.338
Base-Backbone interact. energy: -0.213
local terms energy: -79.507507
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -201.875498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.875498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.875498 (E_RNA)
where:
Base-Base interactions energy: -125.046
where: short stacking energy: -60.861
Base-Backbone interact. energy: -0.051
local terms energy: -76.778685
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -204.138095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.138095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.138095 (E_RNA)
where:
Base-Base interactions energy: -134.612
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.115
local terms energy: -69.410383
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -209.759360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.759360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.759360 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.006
local terms energy: -73.313502
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -190.561075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.561075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.561075 (E_RNA)
where:
Base-Base interactions energy: -114.964
where: short stacking energy: -58.456
Base-Backbone interact. energy: 1.755
local terms energy: -77.352541
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -15.005
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: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -94.211287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.211287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.211287 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -30.788
Base-Backbone interact. energy: 2.657
local terms energy: -58.895323
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -90.762686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.762686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.762686 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.605
local terms energy: -54.533683
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -0.559
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -268.331733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.331733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.331733 (E_RNA)
where:
Base-Base interactions energy: -181.355
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.603
local terms energy: -86.373541
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -223.525968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.525968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.525968 (E_RNA)
where:
Base-Base interactions energy: -146.297
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.142
local terms energy: -77.087178
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -15.431
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: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -214.142472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.142472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.142472 (E_RNA)
where:
Base-Base interactions energy: -140.625
where: short stacking energy: -79.725
Base-Backbone interact. energy: 0.015
local terms energy: -73.531689
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -21.194
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: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -192.341983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.341983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.341983 (E_RNA)
where:
Base-Base interactions energy: -114.700
where: short stacking energy: -56.773
Base-Backbone interact. energy: -1.071
local terms energy: -76.570891
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -9.397
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -206.898453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.898453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.898453 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -65.294
Base-Backbone interact. energy: -0.120
local terms energy: -77.497319
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -201.460085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.460085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.460085 (E_RNA)
where:
Base-Base interactions energy: -129.147
where: short stacking energy: -65.177
Base-Backbone interact. energy: -0.094
local terms energy: -72.218609
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -16.685
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: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -197.152627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.152627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.152627 (E_RNA)
where:
Base-Base interactions energy: -109.261
where: short stacking energy: -53.274
Base-Backbone interact. energy: -0.121
local terms energy: -87.771327
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -11.205
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: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -174.623387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.623387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.623387 (E_RNA)
where:
Base-Base interactions energy: -97.163
where: short stacking energy: -42.086
Base-Backbone interact. energy: -0.377
local terms energy: -77.083329
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -98.904654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.904654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.904654 (E_RNA)
where:
Base-Base interactions energy: -39.409
where: short stacking energy: -33.732
Base-Backbone interact. energy: -0.352
local terms energy: -59.143861
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -79.962363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.962363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.962363 (E_RNA)
where:
Base-Base interactions energy: -32.009
where: short stacking energy: -28.186
Base-Backbone interact. energy: -0.689
local terms energy: -47.264389
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.541
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: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -231.711067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.711067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.711067 (E_RNA)
where:
Base-Base interactions energy: -154.850
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.110
local terms energy: -76.751046
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -14.292
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: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -259.298039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.298039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.298039 (E_RNA)
where:
Base-Base interactions energy: -169.043
where: short stacking energy: -70.894
Base-Backbone interact. energy: 1.152
local terms energy: -91.406401
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -13.081
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: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -215.810144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.810144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.810144 (E_RNA)
where:
Base-Base interactions energy: -133.893
where: short stacking energy: -62.313
Base-Backbone interact. energy: -0.021
local terms energy: -81.896258
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -203.809213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.809213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.809213 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -59.756
Base-Backbone interact. energy: -0.103
local terms energy: -79.222206
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -216.354018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354018 (E_RNA)
where:
Base-Base interactions energy: -132.351
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.047
local terms energy: -83.955901
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -190.447742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.447742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.447742 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -57.677
Base-Backbone interact. energy: -0.342
local terms energy: -72.289484
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -176.310353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.310353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.310353 (E_RNA)
where:
Base-Base interactions energy: -104.642
where: short stacking energy: -44.741
Base-Backbone interact. energy: -0.046
local terms energy: -71.623054
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -183.983773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.983773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.983773 (E_RNA)
where:
Base-Base interactions energy: -118.152
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.107
local terms energy: -65.724674
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -89.999424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.999424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.999424 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -34.503
Base-Backbone interact. energy: 1.620
local terms energy: -55.688809
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -5.265
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: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -89.153002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.153002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.153002 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.086
local terms energy: -57.278310
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -241.110982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.110982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.110982 (E_RNA)
where:
Base-Base interactions energy: -151.341
where: short stacking energy: -71.249
Base-Backbone interact. energy: -0.001
local terms energy: -89.768682
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -265.899302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.899302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.899302 (E_RNA)
where:
Base-Base interactions energy: -173.232
where: short stacking energy: -75.443
Base-Backbone interact. energy: -0.407
local terms energy: -92.260498
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -206.481121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.481121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.481121 (E_RNA)
where:
Base-Base interactions energy: -130.017
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.185
local terms energy: -76.278980
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -208.690657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.690657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.690657 (E_RNA)
where:
Base-Base interactions energy: -125.569
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.120
local terms energy: -83.001975
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -12.357
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: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -219.749169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.749169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.749169 (E_RNA)
where:
Base-Base interactions energy: -146.629
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.611
local terms energy: -72.508695
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -192.665755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.665755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.665755 (E_RNA)
where:
Base-Base interactions energy: -124.984
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.361
local terms energy: -67.320208
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -192.421622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.421622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.421622 (E_RNA)
where:
Base-Base interactions energy: -121.357
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.001
local terms energy: -71.062844
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -179.859872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.859872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.859872 (E_RNA)
where:
Base-Base interactions energy: -108.803
where: short stacking energy: -49.324
Base-Backbone interact. energy: -0.566
local terms energy: -70.490071
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -91.491681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.491681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.491681 (E_RNA)
where:
Base-Base interactions energy: -42.221
where: short stacking energy: -36.785
Base-Backbone interact. energy: 1.450
local terms energy: -50.720351
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -5.832
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: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -99.151043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.151043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.151043 (E_RNA)
where:
Base-Base interactions energy: -52.953
where: short stacking energy: -35.062
Base-Backbone interact. energy: -1.029
local terms energy: -45.168990
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -4.760
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: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -266.166585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.166585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.166585 (E_RNA)
where:
Base-Base interactions energy: -182.769
where: short stacking energy: -76.136
Base-Backbone interact. energy: 0.002
local terms energy: -83.399960
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -19.425
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: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -226.340960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.340960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.340960 (E_RNA)
where:
Base-Base interactions energy: -148.416
where: short stacking energy: -74.469
Base-Backbone interact. energy: -0.130
local terms energy: -77.794398
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -20.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -220.392444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.392444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.392444 (E_RNA)
where:
Base-Base interactions energy: -140.512
where: short stacking energy: -64.799
Base-Backbone interact. energy: -0.491
local terms energy: -79.389458
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -4.586
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: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -210.142149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.142149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.142149 (E_RNA)
where:
Base-Base interactions energy: -126.050
where: short stacking energy: -60.680
Base-Backbone interact. energy: -2.321
local terms energy: -81.771519
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -18.108
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: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -199.111720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.111720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.111720 (E_RNA)
where:
Base-Base interactions energy: -123.581
where: short stacking energy: -58.422
Base-Backbone interact. energy: -1.312
local terms energy: -74.218717
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -12.129
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: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -201.628523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.628523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.628523 (E_RNA)
where:
Base-Base interactions energy: -136.423
where: short stacking energy: -58.671
Base-Backbone interact. energy: -0.255
local terms energy: -64.950673
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -198.613881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.613881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.613881 (E_RNA)
where:
Base-Base interactions energy: -117.847
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.108
local terms energy: -80.658632
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -18.151
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -187.069188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.069188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.069188 (E_RNA)
where:
Base-Base interactions energy: -117.203
where: short stacking energy: -46.664
Base-Backbone interact. energy: -1.456
local terms energy: -68.409945
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -12.819
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: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -86.200259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.200259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.200259 (E_RNA)
where:
Base-Base interactions energy: -35.713
where: short stacking energy: -31.683
Base-Backbone interact. energy: 1.014
local terms energy: -51.500948
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -83.568484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568484 (E_RNA)
where:
Base-Base interactions energy: -29.657
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.449
local terms energy: -53.461957
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -2.380
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: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -253.295241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.295241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.295241 (E_RNA)
where:
Base-Base interactions energy: -168.863
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.952
local terms energy: -83.481067
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -212.923490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.923490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.923490 (E_RNA)
where:
Base-Base interactions energy: -128.016
where: short stacking energy: -71.393
Base-Backbone interact. energy: -0.563
local terms energy: -84.344803
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -13.199
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: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -219.677684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.677684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.677684 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -70.339
Base-Backbone interact. energy: 0.186
local terms energy: -85.871656
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -19.137
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: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -201.273266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.273266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.273266 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.041
local terms energy: -76.344565
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -204.131707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.131707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.131707 (E_RNA)
where:
Base-Base interactions energy: -130.873
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.382
local terms energy: -72.876159
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -197.692772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.692772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.692772 (E_RNA)
where:
Base-Base interactions energy: -120.344
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.204
local terms energy: -77.145040
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -17.695
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: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -188.493916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.493916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.493916 (E_RNA)
where:
Base-Base interactions energy: -111.426
where: short stacking energy: -51.684
Base-Backbone interact. energy: -0.878
local terms energy: -76.190376
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -184.390298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.390298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.390298 (E_RNA)
where:
Base-Base interactions energy: -114.235
where: short stacking energy: -50.562
Base-Backbone interact. energy: -0.790
local terms energy: -69.365359
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -88.626659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.626659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.626659 (E_RNA)
where:
Base-Base interactions energy: -25.172
where: short stacking energy: -20.002
Base-Backbone interact. energy: -0.200
local terms energy: -63.254660
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -11.064
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: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -93.295474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.295474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.295474 (E_RNA)
where:
Base-Base interactions energy: -39.363
where: short stacking energy: -16.858
Base-Backbone interact. energy: -0.545
local terms energy: -53.387415
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: 4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -223.389627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.389627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.389627 (E_RNA)
where:
Base-Base interactions energy: -144.072
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.009
local terms energy: -79.308161
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -260.255623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.255623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.255623 (E_RNA)
where:
Base-Base interactions energy: -179.543
where: short stacking energy: -72.946
Base-Backbone interact. energy: 3.648
local terms energy: -84.360324
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -207.313441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.313441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.313441 (E_RNA)
where:
Base-Base interactions energy: -126.223
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.040
local terms energy: -81.050396
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -19.371
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: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -215.260843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.260843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.260843 (E_RNA)
where:
Base-Base interactions energy: -140.740
where: short stacking energy: -74.496
Base-Backbone interact. energy: -0.007
local terms energy: -74.513054
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -205.838632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.838632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.838632 (E_RNA)
where:
Base-Base interactions energy: -135.384
where: short stacking energy: -58.935
Base-Backbone interact. energy: -0.409
local terms energy: -70.045736
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -20.263
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: 372
Temperature: 1.150000
Total energy: -188.007958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.007958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.007958 (E_RNA)
where:
Base-Base interactions energy: -119.048
where: short stacking energy: -62.699
Base-Backbone interact. energy: -0.154
local terms energy: -68.805966
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -12.371
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: 372
Temperature: 1.200000
Total energy: -190.851600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.851600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.851600 (E_RNA)
where:
Base-Base interactions energy: -116.238
where: short stacking energy: -52.983
Base-Backbone interact. energy: -0.090
local terms energy: -74.523512
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -184.726786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.726786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.726786 (E_RNA)
where:
Base-Base interactions energy: -106.875
where: short stacking energy: -49.834
Base-Backbone interact. energy: -0.078
local terms energy: -77.773734
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -7.528
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: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -87.721189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721189 (E_RNA)
where:
Base-Base interactions energy: -31.274
where: short stacking energy: -29.947
Base-Backbone interact. energy: -0.244
local terms energy: -56.203557
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -91.814548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.814548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.814548 (E_RNA)
where:
Base-Base interactions energy: -50.238
where: short stacking energy: -18.868
Base-Backbone interact. energy: -0.296
local terms energy: -41.280682
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -7.679
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: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -231.637350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.637350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.637350 (E_RNA)
where:
Base-Base interactions energy: -148.200
where: short stacking energy: -75.114
Base-Backbone interact. energy: -0.010
local terms energy: -83.427415
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -21.281
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: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -259.803559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.803559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.803559 (E_RNA)
where:
Base-Base interactions energy: -177.650
where: short stacking energy: -76.332
Base-Backbone interact. energy: 0.212
local terms energy: -82.365524
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -19.648
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: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -214.059137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.059137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.059137 (E_RNA)
where:
Base-Base interactions energy: -142.707
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.133
local terms energy: -71.219299
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -13.215
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: 373
Temperature: 1.050000
Total energy: -237.048856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.048856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.048856 (E_RNA)
where:
Base-Base interactions energy: -153.833
where: short stacking energy: -64.193
Base-Backbone interact. energy: -0.218
local terms energy: -82.997813
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -200.299706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.299706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.299706 (E_RNA)
where:
Base-Base interactions energy: -130.385
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.216
local terms energy: -69.698675
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -8.808
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: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -186.328004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.328004 (E_RNA)
where:
Base-Base interactions energy: -113.944
where: short stacking energy: -54.189
Base-Backbone interact. energy: 0.549
local terms energy: -72.932872
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -197.711263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.711263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.711263 (E_RNA)
where:
Base-Base interactions energy: -120.894
where: short stacking energy: -55.253
Base-Backbone interact. energy: 0.659
local terms energy: -77.476062
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -184.737964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.737964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.737964 (E_RNA)
where:
Base-Base interactions energy: -112.408
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.121
local terms energy: -72.208605
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -13.920
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: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -89.180433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.180433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.180433 (E_RNA)
where:
Base-Base interactions energy: -19.947
where: short stacking energy: -19.947
Base-Backbone interact. energy: -0.241
local terms energy: -68.992054
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -89.959560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.959560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.959560 (E_RNA)
where:
Base-Base interactions energy: -31.051
where: short stacking energy: -31.051
Base-Backbone interact. energy: -0.128
local terms energy: -58.779999
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -8.527
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: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -264.653148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.653148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.653148 (E_RNA)
where:
Base-Base interactions energy: -182.754
where: short stacking energy: -69.907
Base-Backbone interact. energy: -0.334
local terms energy: -81.565094
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -223.371506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.371506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.371506 (E_RNA)
where:
Base-Base interactions energy: -144.915
where: short stacking energy: -74.488
Base-Backbone interact. energy: 1.951
local terms energy: -80.407662
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -247.403272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.403272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.403272 (E_RNA)
where:
Base-Base interactions energy: -172.901
where: short stacking energy: -81.969
Base-Backbone interact. energy: -0.155
local terms energy: -74.347289
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -21.202
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: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -203.521775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.521775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.521775 (E_RNA)
where:
Base-Base interactions energy: -123.229
where: short stacking energy: -56.073
Base-Backbone interact. energy: -1.532
local terms energy: -78.760821
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -206.140498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.140498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.140498 (E_RNA)
where:
Base-Base interactions energy: -121.754
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.644
local terms energy: -83.741792
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
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: -118.130
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.271
local terms energy: -75.409049
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -187.790160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.790160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.790160 (E_RNA)
where:
Base-Base interactions energy: -115.268
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.158
local terms energy: -72.363793
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -189.683891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.683891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.683891 (E_RNA)
where:
Base-Base interactions energy: -118.845
where: short stacking energy: -55.099
Base-Backbone interact. energy: -0.106
local terms energy: -70.732822
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -86.142490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.142490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.142490 (E_RNA)
where:
Base-Base interactions energy: -29.048
where: short stacking energy: -28.292
Base-Backbone interact. energy: -1.043
local terms energy: -56.052217
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -94.485603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.485603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.485603 (E_RNA)
where:
Base-Base interactions energy: -33.296
where: short stacking energy: -31.868
Base-Backbone interact. energy: -0.303
local terms energy: -60.887061
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -272.941838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.941838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.941838 (E_RNA)
where:
Base-Base interactions energy: -192.268
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.598
local terms energy: -80.075252
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -21.018
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: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -262.695746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.695746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.695746 (E_RNA)
where:
Base-Base interactions energy: -183.059
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.523
local terms energy: -79.113567
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -16.808
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: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -204.794722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.794722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.794722 (E_RNA)
where:
Base-Base interactions energy: -127.459
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.515
local terms energy: -76.820442
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -208.213588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.213588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.213588 (E_RNA)
where:
Base-Base interactions energy: -127.384
where: short stacking energy: -65.835
Base-Backbone interact. energy: -0.080
local terms energy: -80.749471
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -207.553787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.553787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.553787 (E_RNA)
where:
Base-Base interactions energy: -132.506
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.023
local terms energy: -75.024700
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -187.349872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.349872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.349872 (E_RNA)
where:
Base-Base interactions energy: -114.299
where: short stacking energy: -51.336
Base-Backbone interact. energy: -0.121
local terms energy: -72.930207
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -184.462666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.462666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.462666 (E_RNA)
where:
Base-Base interactions energy: -113.160
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.108
local terms energy: -71.194442
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -12.061
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: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -190.855000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.855000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.855000 (E_RNA)
where:
Base-Base interactions energy: -112.897
where: short stacking energy: -54.487
Base-Backbone interact. energy: -0.127
local terms energy: -77.830844
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -91.496036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.496036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.496036 (E_RNA)
where:
Base-Base interactions energy: -41.960
where: short stacking energy: -26.468
Base-Backbone interact. energy: -0.048
local terms energy: -49.487600
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -96.043066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.043066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.043066 (E_RNA)
where:
Base-Base interactions energy: -31.994
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.066
local terms energy: -63.983630
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -9.764
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: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -266.499031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.499031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.499031 (E_RNA)
where:
Base-Base interactions energy: -171.798
where: short stacking energy: -74.710
Base-Backbone interact. energy: -0.746
local terms energy: -93.955447
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -259.612745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.612745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.612745 (E_RNA)
where:
Base-Base interactions energy: -177.365
where: short stacking energy: -78.928
Base-Backbone interact. energy: -0.675
local terms energy: -81.572603
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -211.124678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.124678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.124678 (E_RNA)
where:
Base-Base interactions energy: -124.306
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.816
local terms energy: -86.002506
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -205.069896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.069896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.069896 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -64.443
Base-Backbone interact. energy: 0.833
local terms energy: -73.407696
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -13.479
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: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -208.702838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.702838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.702838 (E_RNA)
where:
Base-Base interactions energy: -127.898
where: short stacking energy: -68.296
Base-Backbone interact. energy: -0.257
local terms energy: -80.547357
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -16.921
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: 376
Temperature: 1.150000
Total energy: -199.314588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.314588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.314588 (E_RNA)
where:
Base-Base interactions energy: -119.929
where: short stacking energy: -51.004
Base-Backbone interact. energy: -0.147
local terms energy: -79.238172
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -14.506
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: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -193.189445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.189445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.189445 (E_RNA)
where:
Base-Base interactions energy: -130.107
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.206
local terms energy: -62.876250
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -184.250360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.250360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.250360 (E_RNA)
where:
Base-Base interactions energy: -117.582
where: short stacking energy: -60.360
Base-Backbone interact. energy: 2.782
local terms energy: -69.450638
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -93.634896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.634896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.634896 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.538
local terms energy: -55.803115
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -1.786
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -91.771269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.771269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.771269 (E_RNA)
where:
Base-Base interactions energy: -32.949
where: short stacking energy: -23.205
Base-Backbone interact. energy: 1.017
local terms energy: -59.839430
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -272.958160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.958160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.958160 (E_RNA)
where:
Base-Base interactions energy: -177.356
where: short stacking energy: -75.083
Base-Backbone interact. energy: -0.355
local terms energy: -95.247793
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -22.292
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: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -264.142362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.142362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.142362 (E_RNA)
where:
Base-Base interactions energy: -176.539
where: short stacking energy: -64.937
Base-Backbone interact. energy: -1.053
local terms energy: -86.550482
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -20.688
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: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -214.894256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.894256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.894256 (E_RNA)
where:
Base-Base interactions energy: -134.665
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.414
local terms energy: -79.814568
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -13.581
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: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -210.111324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.111324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.111324 (E_RNA)
where:
Base-Base interactions energy: -125.284
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.009
local terms energy: -84.818025
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -11.134
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -197.946591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.946591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.946591 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -66.985
Base-Backbone interact. energy: -1.239
local terms energy: -68.988493
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -197.761139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.761139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.761139 (E_RNA)
where:
Base-Base interactions energy: -115.066
where: short stacking energy: -60.070
Base-Backbone interact. energy: -0.309
local terms energy: -82.385689
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -20.547
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: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -184.321471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.321471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.321471 (E_RNA)
where:
Base-Base interactions energy: -116.877
where: short stacking energy: -50.696
Base-Backbone interact. energy: 1.180
local terms energy: -68.624476
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -185.086718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.086718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.086718 (E_RNA)
where:
Base-Base interactions energy: -113.507
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.108
local terms energy: -71.472198
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -94.029188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.029188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.029188 (E_RNA)
where:
Base-Base interactions energy: -39.274
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.822
local terms energy: -53.933371
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: 3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -90.591895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.591895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.591895 (E_RNA)
where:
Base-Base interactions energy: -26.892
where: short stacking energy: -26.892
Base-Backbone interact. energy: -0.212
local terms energy: -63.488048
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -280.142163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.142163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.142163 (E_RNA)
where:
Base-Base interactions energy: -192.696
where: short stacking energy: -75.622
Base-Backbone interact. energy: -0.554
local terms energy: -86.892430
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -258.203661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.203661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.203661 (E_RNA)
where:
Base-Base interactions energy: -178.580
where: short stacking energy: -69.304
Base-Backbone interact. energy: -0.578
local terms energy: -79.044820
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -216.068613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.068613 (E_RNA)
where:
Base-Base interactions energy: -134.732
where: short stacking energy: -69.681
Base-Backbone interact. energy: -0.061
local terms energy: -81.275905
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -212.160932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.160932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.160932 (E_RNA)
where:
Base-Base interactions energy: -137.941
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.438
local terms energy: -73.782789
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -214.879480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.879480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.879480 (E_RNA)
where:
Base-Base interactions energy: -140.184
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.021
local terms energy: -74.674759
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.555
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: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -193.731162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.731162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.731162 (E_RNA)
where:
Base-Base interactions energy: -118.485
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.727
local terms energy: -74.519448
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -16.991
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: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -194.764297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.764297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.764297 (E_RNA)
where:
Base-Base interactions energy: -125.132
where: short stacking energy: -62.472
Base-Backbone interact. energy: -0.615
local terms energy: -69.017851
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -18.067
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: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -177.062632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.062632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.062632 (E_RNA)
where:
Base-Base interactions energy: -102.208
where: short stacking energy: -48.628
Base-Backbone interact. energy: 0.359
local terms energy: -75.213802
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -16.002
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: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -103.817940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.817940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.817940 (E_RNA)
where:
Base-Base interactions energy: -44.528
where: short stacking energy: -32.616
Base-Backbone interact. energy: -0.057
local terms energy: -59.233047
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -9.631
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -88.805587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.805587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.805587 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -21.383
Base-Backbone interact. energy: -0.242
local terms energy: -52.638034
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 3.158
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -272.095615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.095615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.095615 (E_RNA)
where:
Base-Base interactions energy: -185.788
where: short stacking energy: -72.682
Base-Backbone interact. energy: -1.521
local terms energy: -84.786600
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -278.918926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.918926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.918926 (E_RNA)
where:
Base-Base interactions energy: -190.732
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.629
local terms energy: -87.557941
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -10.681
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: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -224.170492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.170492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.170492 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -72.750
Base-Backbone interact. energy: -0.165
local terms energy: -78.546949
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -201.606642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.606642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.606642 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.108
local terms energy: -75.503479
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -14.612
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: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -206.954381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.954381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.954381 (E_RNA)
where:
Base-Base interactions energy: -126.757
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.730
local terms energy: -79.466973
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -195.970742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.970742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.970742 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -65.196
Base-Backbone interact. energy: -0.406
local terms energy: -65.753294
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -188.060879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.060879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.060879 (E_RNA)
where:
Base-Base interactions energy: -118.114
where: short stacking energy: -54.294
Base-Backbone interact. energy: -1.205
local terms energy: -68.741984
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -175.444377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.444377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.444377 (E_RNA)
where:
Base-Base interactions energy: -111.555
where: short stacking energy: -52.132
Base-Backbone interact. energy: -0.188
local terms energy: -63.701601
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -13.318
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: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -87.700412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700412 (E_RNA)
where:
Base-Base interactions energy: -32.475
where: short stacking energy: -27.454
Base-Backbone interact. energy: -0.170
local terms energy: -55.054831
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -95.748392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.748392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.748392 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.452
local terms energy: -60.816244
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -11.009
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: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -267.802549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.802549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.802549 (E_RNA)
where:
Base-Base interactions energy: -179.356
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.877
local terms energy: -87.569858
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -270.115826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.115826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.115826 (E_RNA)
where:
Base-Base interactions energy: -184.897
where: short stacking energy: -73.244
Base-Backbone interact. energy: -0.918
local terms energy: -84.300698
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.833
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: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -227.861542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.861542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.861542 (E_RNA)
where:
Base-Base interactions energy: -156.905
where: short stacking energy: -74.148
Base-Backbone interact. energy: -0.006
local terms energy: -70.950493
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -19.229
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: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -212.802214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802214 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.031
local terms energy: -82.861396
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -21.551
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: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -211.235066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.235066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.235066 (E_RNA)
where:
Base-Base interactions energy: -129.958
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.583
local terms energy: -80.693689
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -190.216572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.216572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.216572 (E_RNA)
where:
Base-Base interactions energy: -118.398
where: short stacking energy: -47.719
Base-Backbone interact. energy: -0.406
local terms energy: -71.412697
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -13.251
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: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -188.076700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.076700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.076700 (E_RNA)
where:
Base-Base interactions energy: -108.061
where: short stacking energy: -56.266
Base-Backbone interact. energy: -0.001
local terms energy: -80.014633
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -181.780828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.780828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.780828 (E_RNA)
where:
Base-Base interactions energy: -108.040
where: short stacking energy: -46.434
Base-Backbone interact. energy: -1.090
local terms energy: -72.650265
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -9.883
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -99.215745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.215745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.215745 (E_RNA)
where:
Base-Base interactions energy: -44.081
where: short stacking energy: -32.487
Base-Backbone interact. energy: -0.214
local terms energy: -54.920449
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -79.522601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522601 (E_RNA)
where:
Base-Base interactions energy: -27.240
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.129
local terms energy: -52.154188
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -272.041053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.041053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.041053 (E_RNA)
where:
Base-Base interactions energy: -188.764
where: short stacking energy: -79.733
Base-Backbone interact. energy: -0.741
local terms energy: -82.536468
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -18.656
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: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -264.265535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.265535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.265535 (E_RNA)
where:
Base-Base interactions energy: -180.585
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.526
local terms energy: -83.154377
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -217.109452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.109452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.109452 (E_RNA)
where:
Base-Base interactions energy: -135.055
where: short stacking energy: -66.039
Base-Backbone interact. energy: 0.087
local terms energy: -82.142425
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -210.919822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.919822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.919822 (E_RNA)
where:
Base-Base interactions energy: -135.064
where: short stacking energy: -68.405
Base-Backbone interact. energy: 1.501
local terms energy: -77.356857
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -11.647
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: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -204.716488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.716488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.716488 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -57.109
Base-Backbone interact. energy: -0.004
local terms energy: -82.756412
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -197.879300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.879300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.879300 (E_RNA)
where:
Base-Base interactions energy: -123.555
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.089
local terms energy: -74.235497
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -187.331576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.331576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.331576 (E_RNA)
where:
Base-Base interactions energy: -122.288
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.556
local terms energy: -64.487817
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -186.530927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.530927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.530927 (E_RNA)
where:
Base-Base interactions energy: -112.876
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.191
local terms energy: -73.463204
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.787
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: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -78.531208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.531208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.531208 (E_RNA)
where:
Base-Base interactions energy: -24.235
where: short stacking energy: -19.237
Base-Backbone interact. energy: -0.185
local terms energy: -54.110586
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -79.711527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.711527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.711527 (E_RNA)
where:
Base-Base interactions energy: -30.905
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.363
local terms energy: -48.443999
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -274.988358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.988358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.988358 (E_RNA)
where:
Base-Base interactions energy: -185.228
where: short stacking energy: -75.321
Base-Backbone interact. energy: -0.551
local terms energy: -89.208988
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -20.174
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: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -270.024871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.024871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.024871 (E_RNA)
where:
Base-Base interactions energy: -189.064
where: short stacking energy: -73.742
Base-Backbone interact. energy: -0.447
local terms energy: -80.513748
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -215.652431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.652431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.652431 (E_RNA)
where:
Base-Base interactions energy: -134.725
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.316
local terms energy: -80.612063
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -15.175
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -212.322806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.322806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.322806 (E_RNA)
where:
Base-Base interactions energy: -130.081
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.018
local terms energy: -82.223976
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -20.376
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: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -208.116836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.116836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.116836 (E_RNA)
where:
Base-Base interactions energy: -133.762
where: short stacking energy: -75.512
Base-Backbone interact. energy: -0.684
local terms energy: -73.670007
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -13.547
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: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -205.022710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.022710 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.075
local terms energy: -75.173279
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -185.520821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.520821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.520821 (E_RNA)
where:
Base-Base interactions energy: -116.954
where: short stacking energy: -57.650
Base-Backbone interact. energy: 0.085
local terms energy: -68.651765
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -175.527417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.527417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.527417 (E_RNA)
where:
Base-Base interactions energy: -115.146
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.159
local terms energy: -60.222125
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -84.886503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.886503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.886503 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -22.306
Base-Backbone interact. energy: 0.193
local terms energy: -58.248502
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -91.192561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.192561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.192561 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.590
local terms energy: -55.538818
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -268.253055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.253055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.253055 (E_RNA)
where:
Base-Base interactions energy: -175.540
where: short stacking energy: -73.534
Base-Backbone interact. energy: 0.251
local terms energy: -92.964317
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -270.431734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.431734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.431734 (E_RNA)
where:
Base-Base interactions energy: -189.185
where: short stacking energy: -74.245
Base-Backbone interact. energy: 1.307
local terms energy: -82.553269
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -20.367
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: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -210.174729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.174729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.174729 (E_RNA)
where:
Base-Base interactions energy: -137.266
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.124
local terms energy: -72.784148
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -16.260
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -216.278338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.278338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.278338 (E_RNA)
where:
Base-Base interactions energy: -132.497
where: short stacking energy: -63.193
Base-Backbone interact. energy: -0.760
local terms energy: -83.021747
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -213.964052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.964052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.964052 (E_RNA)
where:
Base-Base interactions energy: -135.962
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.125
local terms energy: -77.876969
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -185.899807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.899807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.899807 (E_RNA)
where:
Base-Base interactions energy: -123.377
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.411
local terms energy: -62.112249
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -208.392012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.392012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.392012 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.086
local terms energy: -89.751415
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -19.892
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: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -176.547818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.547818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.547818 (E_RNA)
where:
Base-Base interactions energy: -103.318
where: short stacking energy: -43.124
Base-Backbone interact. energy: -0.061
local terms energy: -73.168681
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -96.283848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.283848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.283848 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -34.905
Base-Backbone interact. energy: 2.367
local terms energy: -59.903533
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -1.606
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: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -87.651214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.651214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.651214 (E_RNA)
where:
Base-Base interactions energy: -36.729
where: short stacking energy: -36.474
Base-Backbone interact. energy: 0.693
local terms energy: -51.615787
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -1.690
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -272.270040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.270040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.270040 (E_RNA)
where:
Base-Base interactions energy: -181.865
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.488
local terms energy: -89.916321
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -263.926348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.926348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.926348 (E_RNA)
where:
Base-Base interactions energy: -177.333
where: short stacking energy: -69.791
Base-Backbone interact. energy: -1.023
local terms energy: -85.570648
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -22.516
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: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -218.792956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.792956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.792956 (E_RNA)
where:
Base-Base interactions energy: -134.452
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.143
local terms energy: -84.198024
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -15.551
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: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -203.937773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.937773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.937773 (E_RNA)
where:
Base-Base interactions energy: -123.387
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.189
local terms energy: -80.362562
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -204.820854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.820854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.820854 (E_RNA)
where:
Base-Base interactions energy: -127.930
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.248
local terms energy: -76.642776
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -199.118827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.118827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.118827 (E_RNA)
where:
Base-Base interactions energy: -126.309
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.079
local terms energy: -72.731057
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -194.755962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.755962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.755962 (E_RNA)
where:
Base-Base interactions energy: -120.829
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.034
local terms energy: -73.892564
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -177.035261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.035261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.035261 (E_RNA)
where:
Base-Base interactions energy: -107.199
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.017
local terms energy: -69.818917
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -83.977898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.977898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.977898 (E_RNA)
where:
Base-Base interactions energy: -34.862
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.279
local terms energy: -48.837359
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -1.618
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: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -86.541755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.541755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.541755 (E_RNA)
where:
Base-Base interactions energy: -34.037
where: short stacking energy: -33.792
Base-Backbone interact. energy: 0.745
local terms energy: -53.249084
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -275.968805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.968805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.968805 (E_RNA)
where:
Base-Base interactions energy: -187.186
where: short stacking energy: -75.466
Base-Backbone interact. energy: 1.853
local terms energy: -90.636351
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -231.116413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.116413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.116413 (E_RNA)
where:
Base-Base interactions energy: -145.166
where: short stacking energy: -63.168
Base-Backbone interact. energy: -0.736
local terms energy: -85.214496
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -17.872
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: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -257.216354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.216354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.216354 (E_RNA)
where:
Base-Base interactions energy: -169.801
where: short stacking energy: -77.053
Base-Backbone interact. energy: -0.517
local terms energy: -86.898532
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -208.292611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.292611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.292611 (E_RNA)
where:
Base-Base interactions energy: -128.873
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.742
local terms energy: -78.678142
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -20.341
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: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -207.405811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.405811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.405811 (E_RNA)
where:
Base-Base interactions energy: -123.576
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.583
local terms energy: -83.246332
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -200.663535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.663535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.663535 (E_RNA)
where:
Base-Base interactions energy: -128.559
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.071
local terms energy: -72.033185
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -181.276719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.276719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.276719 (E_RNA)
where:
Base-Base interactions energy: -120.055
where: short stacking energy: -54.789
Base-Backbone interact. energy: -0.129
local terms energy: -61.093344
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -187.318676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.318676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.318676 (E_RNA)
where:
Base-Base interactions energy: -121.931
where: short stacking energy: -58.217
Base-Backbone interact. energy: -0.893
local terms energy: -64.494575
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -7.988
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: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -84.845249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.845249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.845249 (E_RNA)
where:
Base-Base interactions energy: -18.942
where: short stacking energy: -18.232
Base-Backbone interact. energy: -1.111
local terms energy: -64.792631
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -5.871
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: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -84.944239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.944239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.944239 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -33.702
Base-Backbone interact. energy: -0.439
local terms energy: -50.802970
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -274.801280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.801280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.801280 (E_RNA)
where:
Base-Base interactions energy: -188.666
where: short stacking energy: -76.598
Base-Backbone interact. energy: -0.302
local terms energy: -85.833421
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -221.220272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.220272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.220272 (E_RNA)
where:
Base-Base interactions energy: -135.165
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.697
local terms energy: -85.359169
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -254.359709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.359709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.359709 (E_RNA)
where:
Base-Base interactions energy: -168.618
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.411
local terms energy: -85.330318
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -216.502224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.502224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.502224 (E_RNA)
where:
Base-Base interactions energy: -142.246
where: short stacking energy: -50.923
Base-Backbone interact. energy: -1.005
local terms energy: -73.252065
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -202.300017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.300017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.300017 (E_RNA)
where:
Base-Base interactions energy: -122.504
where: short stacking energy: -63.133
Base-Backbone interact. energy: -0.007
local terms energy: -79.788924
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -17.953
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -203.619323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.619323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.619323 (E_RNA)
where:
Base-Base interactions energy: -120.365
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.118
local terms energy: -83.135863
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -195.022069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.022069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.022069 (E_RNA)
where:
Base-Base interactions energy: -119.152
where: short stacking energy: -55.974
Base-Backbone interact. energy: 0.244
local terms energy: -76.114006
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -13.551
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: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -186.353106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.353106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.353106 (E_RNA)
where:
Base-Base interactions energy: -111.162
where: short stacking energy: -50.395
Base-Backbone interact. energy: -0.387
local terms energy: -74.804305
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.350
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: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -97.703574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.703574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.703574 (E_RNA)
where:
Base-Base interactions energy: -35.073
where: short stacking energy: -35.073
Base-Backbone interact. energy: 0.070
local terms energy: -62.700824
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -91.162709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.162709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.162709 (E_RNA)
where:
Base-Base interactions energy: -27.730
where: short stacking energy: -27.730
Base-Backbone interact. energy: -0.188
local terms energy: -63.244700
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -5.709
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: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -273.588169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.588169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.588169 (E_RNA)
where:
Base-Base interactions energy: -187.836
where: short stacking energy: -74.768
Base-Backbone interact. energy: -1.045
local terms energy: -84.706671
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -19.510
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -263.632204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.632204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.632204 (E_RNA)
where:
Base-Base interactions energy: -172.894
where: short stacking energy: -82.048
Base-Backbone interact. energy: -0.496
local terms energy: -90.242173
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -209.017120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.017120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.017120 (E_RNA)
where:
Base-Base interactions energy: -129.821
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.031
local terms energy: -79.165366
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -20.460
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: 387
Temperature: 1.050000
Total energy: -200.605763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.605763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.605763 (E_RNA)
where:
Base-Base interactions energy: -122.533
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.050
local terms energy: -78.022351
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -14.155
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: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -196.722697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.722697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.722697 (E_RNA)
where:
Base-Base interactions energy: -119.207
where: short stacking energy: -60.881
Base-Backbone interact. energy: -0.081
local terms energy: -77.435261
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -18.222
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: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -198.503283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.503283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.503283 (E_RNA)
where:
Base-Base interactions energy: -117.038
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.998
local terms energy: -80.467904
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -9.242
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: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -188.836253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.836253 (E_RNA)
where:
Base-Base interactions energy: -126.030
where: short stacking energy: -57.319
Base-Backbone interact. energy: 0.155
local terms energy: -62.961017
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -12.011
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: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -180.296022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.296022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.296022 (E_RNA)
where:
Base-Base interactions energy: -114.606
where: short stacking energy: -53.858
Base-Backbone interact. energy: -0.212
local terms energy: -65.477839
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -96.208850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208850 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.056
local terms energy: -48.145375
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -1.113
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: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -98.592028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.592028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.592028 (E_RNA)
where:
Base-Base interactions energy: -37.417
where: short stacking energy: -37.417
Base-Backbone interact. energy: -0.299
local terms energy: -60.876535
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -270.200793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.200793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.200793 (E_RNA)
where:
Base-Base interactions energy: -186.443
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.518
local terms energy: -83.239656
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -22.870
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: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -268.710135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.710135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.710135 (E_RNA)
where:
Base-Base interactions energy: -178.479
where: short stacking energy: -66.161
Base-Backbone interact. energy: -1.222
local terms energy: -89.009017
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -12.994
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: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -215.091195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091195 (E_RNA)
where:
Base-Base interactions energy: -137.767
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.421
local terms energy: -76.903007
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -203.292360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.292360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.292360 (E_RNA)
where:
Base-Base interactions energy: -126.860
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.872
local terms energy: -75.561248
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -205.127770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.127770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.127770 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -60.996
Base-Backbone interact. energy: 0.336
local terms energy: -71.757656
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -6.647
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -199.715212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.715212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.715212 (E_RNA)
where:
Base-Base interactions energy: -116.171
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.081
local terms energy: -83.463188
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -15.176
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: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -187.968299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.968299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.968299 (E_RNA)
where:
Base-Base interactions energy: -114.810
where: short stacking energy: -54.893
Base-Backbone interact. energy: -0.327
local terms energy: -72.831482
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -10.901
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: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -182.103248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.103248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.103248 (E_RNA)
where:
Base-Base interactions energy: -119.003
where: short stacking energy: -56.264
Base-Backbone interact. energy: -0.710
local terms energy: -62.390280
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -100.713126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.713126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.713126 (E_RNA)
where:
Base-Base interactions energy: -47.108
where: short stacking energy: -46.014
Base-Backbone interact. energy: -0.209
local terms energy: -53.396460
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -78.528222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528222 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.766
local terms energy: -47.696761
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: 7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -271.608191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.608191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.608191 (E_RNA)
where:
Base-Base interactions energy: -189.900
where: short stacking energy: -75.578
Base-Backbone interact. energy: -0.491
local terms energy: -81.217476
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -23.230
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: 389
Temperature: 0.950000
Total energy: -258.647486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.647486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.647486 (E_RNA)
where:
Base-Base interactions energy: -172.641
where: short stacking energy: -69.614
Base-Backbone interact. energy: 0.736
local terms energy: -86.742048
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -215.341237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.341237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.341237 (E_RNA)
where:
Base-Base interactions energy: -134.755
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.953
local terms energy: -79.633643
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -222.093504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.093504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.093504 (E_RNA)
where:
Base-Base interactions energy: -140.351
where: short stacking energy: -65.565
Base-Backbone interact. energy: 2.126
local terms energy: -83.868649
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -189.565532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.565532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.565532 (E_RNA)
where:
Base-Base interactions energy: -119.944
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.228
local terms energy: -69.393384
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -14.644
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: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -190.981975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.981975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.981975 (E_RNA)
where:
Base-Base interactions energy: -123.788
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.109
local terms energy: -67.084355
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -10.677
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: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -196.153798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.153798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.153798 (E_RNA)
where:
Base-Base interactions energy: -128.704
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.231
local terms energy: -67.218090
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -187.499099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.499099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.499099 (E_RNA)
where:
Base-Base interactions energy: -124.690
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.448
local terms energy: -62.361030
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -90.649651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.649651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.649651 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -37.165
Base-Backbone interact. energy: -0.363
local terms energy: -48.762930
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -5.374
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: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -84.720799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.720799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.720799 (E_RNA)
where:
Base-Base interactions energy: -25.906
where: short stacking energy: -18.614
Base-Backbone interact. energy: -0.323
local terms energy: -58.492016
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -274.488629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.488629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.488629 (E_RNA)
where:
Base-Base interactions energy: -186.051
where: short stacking energy: -81.407
Base-Backbone interact. energy: 0.042
local terms energy: -88.479527
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -264.930558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.930558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.930558 (E_RNA)
where:
Base-Base interactions energy: -180.677
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.558
local terms energy: -83.695567
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -230.827396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.827396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.827396 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.535
local terms energy: -87.619427
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -19.275
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: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -238.811911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.811911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.811911 (E_RNA)
where:
Base-Base interactions energy: -153.677
where: short stacking energy: -80.230
Base-Backbone interact. energy: -0.010
local terms energy: -85.125021
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -197.998024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.998024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.998024 (E_RNA)
where:
Base-Base interactions energy: -115.386
where: short stacking energy: -57.121
Base-Backbone interact. energy: -0.083
local terms energy: -82.529044
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.845
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: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -181.328062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.328062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.328062 (E_RNA)
where:
Base-Base interactions energy: -113.583
where: short stacking energy: -46.773
Base-Backbone interact. energy: 0.801
local terms energy: -68.546256
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -187.668338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.668338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.668338 (E_RNA)
where:
Base-Base interactions energy: -119.940
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.176
local terms energy: -67.552120
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -11.957
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: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -178.146403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.146403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.146403 (E_RNA)
where:
Base-Base interactions energy: -109.442
where: short stacking energy: -46.696
Base-Backbone interact. energy: -0.090
local terms energy: -68.614812
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -12.988
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: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -89.918530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.918530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.918530 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -31.660
Base-Backbone interact. energy: -0.041
local terms energy: -58.218045
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -0.843
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: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -90.733795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.733795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.733795 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -21.683
Base-Backbone interact. energy: -0.689
local terms energy: -57.817062
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: 2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -264.784982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.784982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.784982 (E_RNA)
where:
Base-Base interactions energy: -173.528
where: short stacking energy: -76.833
Base-Backbone interact. energy: -0.274
local terms energy: -90.982978
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -264.121942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.121942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.121942 (E_RNA)
where:
Base-Base interactions energy: -182.313
where: short stacking energy: -74.355
Base-Backbone interact. energy: 0.512
local terms energy: -82.320259
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -18.197
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: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -216.152867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.152867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.152867 (E_RNA)
where:
Base-Base interactions energy: -137.080
where: short stacking energy: -68.119
Base-Backbone interact. energy: -0.108
local terms energy: -78.965105
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -218.792776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.792776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.792776 (E_RNA)
where:
Base-Base interactions energy: -127.950
where: short stacking energy: -73.735
Base-Backbone interact. energy: -0.003
local terms energy: -90.840683
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -202.312405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.312405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.312405 (E_RNA)
where:
Base-Base interactions energy: -119.338
where: short stacking energy: -59.511
Base-Backbone interact. energy: 0.157
local terms energy: -83.131597
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -19.928
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: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -191.672729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.672729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.672729 (E_RNA)
where:
Base-Base interactions energy: -117.365
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.144
local terms energy: -74.164019
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -190.194024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.194024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.194024 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -64.621
Base-Backbone interact. energy: 0.879
local terms energy: -65.586932
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -131.567730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.567730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.567730 (E_RNA)
where:
Base-Base interactions energy: -78.663
where: short stacking energy: -34.573
Base-Backbone interact. energy: -1.023
local terms energy: -51.882369
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -107.655676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.655676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.655676 (E_RNA)
where:
Base-Base interactions energy: -52.408
where: short stacking energy: -23.411
Base-Backbone interact. energy: -0.190
local terms energy: -55.058322
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -84.434702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.434702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.434702 (E_RNA)
where:
Base-Base interactions energy: -30.415
where: short stacking energy: -25.731
Base-Backbone interact. energy: -0.187
local terms energy: -53.832494
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: 2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -270.831841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.831841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.831841 (E_RNA)
where:
Base-Base interactions energy: -183.086
where: short stacking energy: -72.533
Base-Backbone interact. energy: -0.760
local terms energy: -86.986680
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -262.112989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.112989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.112989 (E_RNA)
where:
Base-Base interactions energy: -183.231
where: short stacking energy: -70.955
Base-Backbone interact. energy: -0.915
local terms energy: -77.966916
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -19.503
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -217.280830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.280830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.280830 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -67.158
Base-Backbone interact. energy: 0.699
local terms energy: -81.498316
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -10.442
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: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -200.658064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.658064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.658064 (E_RNA)
where:
Base-Base interactions energy: -124.271
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.355
local terms energy: -76.031929
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -203.530513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.530513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.530513 (E_RNA)
where:
Base-Base interactions energy: -125.381
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.811
local terms energy: -77.339222
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -16.012
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -204.694369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.694369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.694369 (E_RNA)
where:
Base-Base interactions energy: -135.931
where: short stacking energy: -58.365
Base-Backbone interact. energy: -0.592
local terms energy: -68.171751
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -5.369
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -193.530158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.530158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.530158 (E_RNA)
where:
Base-Base interactions energy: -131.024
where: short stacking energy: -55.925
Base-Backbone interact. energy: 0.039
local terms energy: -62.545337
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -110.339358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.339358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.339358 (E_RNA)
where:
Base-Base interactions energy: -41.893
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.081
local terms energy: -68.365088
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -96.084862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.084862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.084862 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -30.908
Base-Backbone interact. energy: -1.071
local terms energy: -60.379510
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.971509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.971509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.971509 (E_RNA)
where:
Base-Base interactions energy: -28.679
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.504
local terms energy: -50.787751
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: 3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -271.700104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.700104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.700104 (E_RNA)
where:
Base-Base interactions energy: -188.105
where: short stacking energy: -73.924
Base-Backbone interact. energy: 0.362
local terms energy: -83.957515
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -260.950422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.950422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.950422 (E_RNA)
where:
Base-Base interactions energy: -176.872
where: short stacking energy: -70.192
Base-Backbone interact. energy: -1.389
local terms energy: -82.689805
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -22.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -219.126159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.126159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.126159 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.298
local terms energy: -75.539847
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -11.861
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: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -206.178048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.178048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.178048 (E_RNA)
where:
Base-Base interactions energy: -130.191
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.046
local terms energy: -75.941658
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -15.008
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: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -205.072787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.072787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.072787 (E_RNA)
where:
Base-Base interactions energy: -131.107
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.618
local terms energy: -73.348078
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -210.647089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.647089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.647089 (E_RNA)
where:
Base-Base interactions energy: -137.413
where: short stacking energy: -59.837
Base-Backbone interact. energy: -2.122
local terms energy: -71.112356
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -190.238661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.238661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.238661 (E_RNA)
where:
Base-Base interactions energy: -115.930
where: short stacking energy: -59.492
Base-Backbone interact. energy: -1.022
local terms energy: -73.286500
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -101.936298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.936298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.936298 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -37.494
Base-Backbone interact. energy: 0.173
local terms energy: -64.446333
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -4.480
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: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -85.448334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.448334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.448334 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -16.430
Base-Backbone interact. energy: -1.841
local terms energy: -47.923492
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -95.733709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.733709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.733709 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -24.383
Base-Backbone interact. energy: -0.332
local terms energy: -51.473752
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: 4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -274.672180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.672180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.672180 (E_RNA)
where:
Base-Base interactions energy: -184.681
where: short stacking energy: -76.828
Base-Backbone interact. energy: -0.634
local terms energy: -89.356914
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -268.362939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.362939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.362939 (E_RNA)
where:
Base-Base interactions energy: -182.194
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.878
local terms energy: -85.291424
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -13.585
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: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -214.066678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.066678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.066678 (E_RNA)
where:
Base-Base interactions energy: -126.916
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.176
local terms energy: -86.974249
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -17.992
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: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -202.987901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.987901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.987901 (E_RNA)
where:
Base-Base interactions energy: -132.730
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.154
local terms energy: -70.104254
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -204.409406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.409406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.409406 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -56.853
Base-Backbone interact. energy: 0.448
local terms energy: -72.061077
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -13.362
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: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -193.596406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.596406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.596406 (E_RNA)
where:
Base-Base interactions energy: -141.314
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.749
local terms energy: -51.533566
where:
bonds (distance) C4'-P energy: -4.599
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -193.208290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.208290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.208290 (E_RNA)
where:
Base-Base interactions energy: -118.559
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.148
local terms energy: -74.500910
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -92.641710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641710 (E_RNA)
where:
Base-Base interactions energy: -43.215
where: short stacking energy: -35.640
Base-Backbone interact. energy: -0.173
local terms energy: -49.254037
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: 2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -88.128298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128298 (E_RNA)
where:
Base-Base interactions energy: -26.082
where: short stacking energy: -25.487
Base-Backbone interact. energy: 0.411
local terms energy: -62.456707
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -85.190480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190480 (E_RNA)
where:
Base-Base interactions energy: -28.757
where: short stacking energy: -21.475
Base-Backbone interact. energy: 0.914
local terms energy: -57.347577
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.578
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: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -272.107813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.107813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.107813 (E_RNA)
where:
Base-Base interactions energy: -187.070
where: short stacking energy: -78.680
Base-Backbone interact. energy: -0.893
local terms energy: -84.144526
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -266.877324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.877324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.877324 (E_RNA)
where:
Base-Base interactions energy: -177.739
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.689
local terms energy: -88.450237
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -218.611910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.611910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.611910 (E_RNA)
where:
Base-Base interactions energy: -130.787
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.015
local terms energy: -87.810603
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -18.548
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: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -208.668241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.668241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.668241 (E_RNA)
where:
Base-Base interactions energy: -126.525
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.571
local terms energy: -81.572431
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -196.399963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.399963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.399963 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -59.060
Base-Backbone interact. energy: -0.025
local terms energy: -79.759961
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -200.495620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.495620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.495620 (E_RNA)
where:
Base-Base interactions energy: -134.880
where: short stacking energy: -57.126
Base-Backbone interact. energy: -0.239
local terms energy: -65.376815
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -199.579777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.579777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.579777 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.457
local terms energy: -70.619088
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -99.529039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.529039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.529039 (E_RNA)
where:
Base-Base interactions energy: -40.350
where: short stacking energy: -35.495
Base-Backbone interact. energy: -0.007
local terms energy: -59.171453
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -5.663
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: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -89.138903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.138903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.138903 (E_RNA)
where:
Base-Base interactions energy: -24.989
where: short stacking energy: -21.765
Base-Backbone interact. energy: 1.080
local terms energy: -65.229978
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -88.223608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.223608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.223608 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -29.648
Base-Backbone interact. energy: 2.136
local terms energy: -60.711121
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -263.983776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.983776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.983776 (E_RNA)
where:
Base-Base interactions energy: -184.663
where: short stacking energy: -66.860
Base-Backbone interact. energy: -0.534
local terms energy: -78.786448
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -264.323929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.323929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.323929 (E_RNA)
where:
Base-Base interactions energy: -174.084
where: short stacking energy: -66.399
Base-Backbone interact. energy: -0.569
local terms energy: -89.671075
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -223.644203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.644203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.644203 (E_RNA)
where:
Base-Base interactions energy: -134.668
where: short stacking energy: -73.498
Base-Backbone interact. energy: -0.347
local terms energy: -88.629069
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -201.984989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.984989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.984989 (E_RNA)
where:
Base-Base interactions energy: -127.983
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.244
local terms energy: -73.757372
where:
bonds (distance) C4'-P energy: -6.566
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -11.784
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: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -206.388972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.388972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.388972 (E_RNA)
where:
Base-Base interactions energy: -131.071
where: short stacking energy: -58.753
Base-Backbone interact. energy: -1.162
local terms energy: -74.156154
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -196.122334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.122334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.122334 (E_RNA)
where:
Base-Base interactions energy: -138.071
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.039
local terms energy: -58.012212
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -6.556
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: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -189.137277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.137277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.137277 (E_RNA)
where:
Base-Base interactions energy: -127.552
where: short stacking energy: -53.773
Base-Backbone interact. energy: 0.117
local terms energy: -61.702497
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -5.847
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: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -99.386649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.386649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.386649 (E_RNA)
where:
Base-Base interactions energy: -37.570
where: short stacking energy: -15.872
Base-Backbone interact. energy: -1.069
local terms energy: -60.747502
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -85.157158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.157158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.157158 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.169
local terms energy: -49.809890
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -82.338137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.338137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.338137 (E_RNA)
where:
Base-Base interactions energy: -26.933
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.110
local terms energy: -55.295377
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -275.973091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.973091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.973091 (E_RNA)
where:
Base-Base interactions energy: -185.115
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.712
local terms energy: -90.146002
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -271.979892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.979892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.979892 (E_RNA)
where:
Base-Base interactions energy: -185.995
where: short stacking energy: -72.007
Base-Backbone interact. energy: -0.747
local terms energy: -85.238109
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -21.635
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: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -221.168324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.168324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.168324 (E_RNA)
where:
Base-Base interactions energy: -138.276
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.734
local terms energy: -82.158614
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -25.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -209.823532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.823532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.823532 (E_RNA)
where:
Base-Base interactions energy: -132.997
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.210
local terms energy: -76.615998
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -206.741334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.741334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.741334 (E_RNA)
where:
Base-Base interactions energy: -124.092
where: short stacking energy: -66.769
Base-Backbone interact. energy: -0.712
local terms energy: -81.937761
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -206.530831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.530831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.530831 (E_RNA)
where:
Base-Base interactions energy: -128.394
where: short stacking energy: -66.440
Base-Backbone interact. energy: -0.235
local terms energy: -77.901973
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -11.962
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: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -181.631153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.631153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.631153 (E_RNA)
where:
Base-Base interactions energy: -112.177
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.223
local terms energy: -69.230972
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -16.737
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: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -90.938336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.938336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.938336 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -31.745
Base-Backbone interact. energy: -0.314
local terms energy: -51.846396
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -5.701
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: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -89.235589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.235589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.235589 (E_RNA)
where:
Base-Base interactions energy: -34.983
where: short stacking energy: -28.156
Base-Backbone interact. energy: 0.432
local terms energy: -54.684441
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -78.777045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.777045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.777045 (E_RNA)
where:
Base-Base interactions energy: -28.076
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.301
local terms energy: -50.400031
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: 3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -254.671093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.671093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.671093 (E_RNA)
where:
Base-Base interactions energy: -175.513
where: short stacking energy: -63.029
Base-Backbone interact. energy: -0.382
local terms energy: -78.775683
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -270.573979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.573979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.573979 (E_RNA)
where:
Base-Base interactions energy: -189.380
where: short stacking energy: -74.789
Base-Backbone interact. energy: 0.604
local terms energy: -81.797302
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -20.792
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: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -215.840964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.840964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840964 (E_RNA)
where:
Base-Base interactions energy: -130.144
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.106
local terms energy: -85.591562
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -18.388
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: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -206.283773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.283773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.283773 (E_RNA)
where:
Base-Base interactions energy: -124.430
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.825
local terms energy: -81.029656
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -15.089
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: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -203.205961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.205961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.205961 (E_RNA)
where:
Base-Base interactions energy: -123.472
where: short stacking energy: -59.818
Base-Backbone interact. energy: -0.142
local terms energy: -79.592607
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -195.056491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.056491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.056491 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.101
local terms energy: -75.120266
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -204.169698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.169698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.169698 (E_RNA)
where:
Base-Base interactions energy: -132.532
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.061
local terms energy: -71.576505
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -99.429941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.429941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.429941 (E_RNA)
where:
Base-Base interactions energy: -28.988
where: short stacking energy: -28.988
Base-Backbone interact. energy: -0.025
local terms energy: -70.416197
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -93.581825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.581825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.581825 (E_RNA)
where:
Base-Base interactions energy: -46.579
where: short stacking energy: -25.868
Base-Backbone interact. energy: -0.668
local terms energy: -46.334948
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -6.632
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: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -81.925077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.925077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.925077 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -26.568
Base-Backbone interact. energy: -0.304
local terms energy: -46.894969
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -248.783880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.783880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.783880 (E_RNA)
where:
Base-Base interactions energy: -162.890
where: short stacking energy: -62.974
Base-Backbone interact. energy: 0.103
local terms energy: -85.997222
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -15.834
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: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -254.610388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.610388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.610388 (E_RNA)
where:
Base-Base interactions energy: -170.246
where: short stacking energy: -68.595
Base-Backbone interact. energy: -0.584
local terms energy: -83.780387
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -213.202146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.202146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.202146 (E_RNA)
where:
Base-Base interactions energy: -137.783
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.073
local terms energy: -75.346586
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -223.694714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.694714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.694714 (E_RNA)
where:
Base-Base interactions energy: -144.736
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.318
local terms energy: -78.640217
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -14.473
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: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -202.540018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.540018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.540018 (E_RNA)
where:
Base-Base interactions energy: -126.396
where: short stacking energy: -50.543
Base-Backbone interact. energy: 0.503
local terms energy: -76.646725
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -14.247
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: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -212.906717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.906717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.906717 (E_RNA)
where:
Base-Base interactions energy: -139.396
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.096
local terms energy: -73.414280
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -186.097502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.097502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.097502 (E_RNA)
where:
Base-Base interactions energy: -107.574
where: short stacking energy: -55.545
Base-Backbone interact. energy: 0.057
local terms energy: -78.580064
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -102.273045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.273045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.273045 (E_RNA)
where:
Base-Base interactions energy: -39.628
where: short stacking energy: -22.694
Base-Backbone interact. energy: 0.565
local terms energy: -63.210175
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -1.096
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: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -101.090093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.090093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.090093 (E_RNA)
where:
Base-Base interactions energy: -49.585
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.349
local terms energy: -51.155903
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -5.665
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: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -112.274952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.274952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.274952 (E_RNA)
where:
Base-Base interactions energy: -60.905
where: short stacking energy: -23.598
Base-Backbone interact. energy: -0.321
local terms energy: -51.049054
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: 3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -278.890096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.890096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.890096 (E_RNA)
where:
Base-Base interactions energy: -188.700
where: short stacking energy: -80.593
Base-Backbone interact. energy: -0.800
local terms energy: -89.390090
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -22.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -265.224572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.224572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.224572 (E_RNA)
where:
Base-Base interactions energy: -178.324
where: short stacking energy: -67.259
Base-Backbone interact. energy: -2.128
local terms energy: -84.772043
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -208.461095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.461095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.461095 (E_RNA)
where:
Base-Base interactions energy: -130.824
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.280
local terms energy: -77.356607
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -219.121232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.121232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.121232 (E_RNA)
where:
Base-Base interactions energy: -131.204
where: short stacking energy: -66.318
Base-Backbone interact. energy: -0.003
local terms energy: -87.913855
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -211.951668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.951668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.951668 (E_RNA)
where:
Base-Base interactions energy: -137.216
where: short stacking energy: -65.152
Base-Backbone interact. energy: -0.211
local terms energy: -74.524352
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -183.213670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.213670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.213670 (E_RNA)
where:
Base-Base interactions energy: -111.159
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.916
local terms energy: -71.138557
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.384
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: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -182.697323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.697323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.697323 (E_RNA)
where:
Base-Base interactions energy: -112.813
where: short stacking energy: -52.467
Base-Backbone interact. energy: -0.190
local terms energy: -69.694008
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -92.228148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.228148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.228148 (E_RNA)
where:
Base-Base interactions energy: -40.221
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.344
local terms energy: -51.662754
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -86.239107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.239107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.239107 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -22.138
Base-Backbone interact. energy: 0.149
local terms energy: -52.581887
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: 2.048
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: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -91.330586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.330586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.330586 (E_RNA)
where:
Base-Base interactions energy: -38.559
where: short stacking energy: -26.795
Base-Backbone interact. energy: -0.193
local terms energy: -52.579319
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.453
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: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -268.195143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.195143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.195143 (E_RNA)
where:
Base-Base interactions energy: -180.743
where: short stacking energy: -76.311
Base-Backbone interact. energy: -0.605
local terms energy: -86.846909
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -255.558620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.558620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.558620 (E_RNA)
where:
Base-Base interactions energy: -176.776
where: short stacking energy: -68.405
Base-Backbone interact. energy: -0.326
local terms energy: -78.456974
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -16.178
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: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -211.269897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.269897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.269897 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.003
local terms energy: -82.069780
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -203.620112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.620112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.620112 (E_RNA)
where:
Base-Base interactions energy: -125.171
where: short stacking energy: -58.519
Base-Backbone interact. energy: 0.317
local terms energy: -78.765962
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -203.922941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.922941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.922941 (E_RNA)
where:
Base-Base interactions energy: -118.582
where: short stacking energy: -54.840
Base-Backbone interact. energy: -0.775
local terms energy: -84.566084
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -15.222
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: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -199.786969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.786969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.786969 (E_RNA)
where:
Base-Base interactions energy: -128.885
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.011
local terms energy: -70.890778
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -177.558591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.558591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.558591 (E_RNA)
where:
Base-Base interactions energy: -106.825
where: short stacking energy: -51.242
Base-Backbone interact. energy: -0.048
local terms energy: -70.686044
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -18.530
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: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -89.188754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.188754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.188754 (E_RNA)
where:
Base-Base interactions energy: -30.519
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.180
local terms energy: -58.489191
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: 0.989
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: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -87.500710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.500710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.500710 (E_RNA)
where:
Base-Base interactions energy: -27.674
where: short stacking energy: -27.674
Base-Backbone interact. energy: -0.025
local terms energy: -59.801144
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -0.423
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: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -94.583081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.583081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.583081 (E_RNA)
where:
Base-Base interactions energy: -32.526
where: short stacking energy: -29.201
Base-Backbone interact. energy: -0.235
local terms energy: -61.822749
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -266.020333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.020333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.020333 (E_RNA)
where:
Base-Base interactions energy: -177.354
where: short stacking energy: -70.560
Base-Backbone interact. energy: 0.258
local terms energy: -88.924677
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -252.829815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.829815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.829815 (E_RNA)
where:
Base-Base interactions energy: -171.728
where: short stacking energy: -72.225
Base-Backbone interact. energy: -1.320
local terms energy: -79.781171
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -11.526
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: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -224.506185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.506185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.506185 (E_RNA)
where:
Base-Base interactions energy: -133.761
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.001
local terms energy: -90.744636
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -21.371
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: 402
Temperature: 1.050000
Total energy: -211.748956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.748956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.748956 (E_RNA)
where:
Base-Base interactions energy: -136.010
where: short stacking energy: -60.390
Base-Backbone interact. energy: 0.917
local terms energy: -76.655513
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -11.432
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: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -209.236336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.236336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.236336 (E_RNA)
where:
Base-Base interactions energy: -123.905
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.776
local terms energy: -84.555268
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -14.250
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -175.886698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.886698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.886698 (E_RNA)
where:
Base-Base interactions energy: -109.860
where: short stacking energy: -50.732
Base-Backbone interact. energy: -0.119
local terms energy: -65.907696
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -189.102941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.102941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.102941 (E_RNA)
where:
Base-Base interactions energy: -112.986
where: short stacking energy: -49.076
Base-Backbone interact. energy: -0.223
local terms energy: -75.893446
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.694
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: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -89.673246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.673246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.673246 (E_RNA)
where:
Base-Base interactions energy: -28.959
where: short stacking energy: -21.267
Base-Backbone interact. energy: -2.153
local terms energy: -58.561280
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -98.242074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.242074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.242074 (E_RNA)
where:
Base-Base interactions energy: -43.589
where: short stacking energy: -39.965
Base-Backbone interact. energy: -0.110
local terms energy: -54.542780
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -4.882
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: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -96.443089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.443089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.443089 (E_RNA)
where:
Base-Base interactions energy: -46.422
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.702
local terms energy: -49.319688
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: 3.583
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: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -271.304230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.304230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.304230 (E_RNA)
where:
Base-Base interactions energy: -181.469
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.134
local terms energy: -89.700417
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -259.253098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.253098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.253098 (E_RNA)
where:
Base-Base interactions energy: -172.712
where: short stacking energy: -70.332
Base-Backbone interact. energy: -0.388
local terms energy: -86.153241
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -24.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -219.858306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.858306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.858306 (E_RNA)
where:
Base-Base interactions energy: -132.836
where: short stacking energy: -71.745
Base-Backbone interact. energy: -0.037
local terms energy: -86.985503
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -207.776702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.776702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.776702 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.132
local terms energy: -82.482476
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -13.902
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: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -213.797107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.797107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.797107 (E_RNA)
where:
Base-Base interactions energy: -140.073
where: short stacking energy: -64.662
Base-Backbone interact. energy: 0.955
local terms energy: -74.679714
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -9.402
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -201.466539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.466539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.466539 (E_RNA)
where:
Base-Base interactions energy: -130.044
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.379
local terms energy: -71.044051
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -13.066
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: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -110.842975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.842975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.842975 (E_RNA)
where:
Base-Base interactions energy: -52.504
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.183
local terms energy: -58.156740
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -5.774
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: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -103.506837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.506837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.506837 (E_RNA)
where:
Base-Base interactions energy: -55.760
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.269
local terms energy: -47.478348
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -107.700290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.700290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.700290 (E_RNA)
where:
Base-Base interactions energy: -50.462
where: short stacking energy: -31.189
Base-Backbone interact. energy: -0.117
local terms energy: -57.121273
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -8.931
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: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -82.724232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.724232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.724232 (E_RNA)
where:
Base-Base interactions energy: -30.887
where: short stacking energy: -17.530
Base-Backbone interact. energy: -0.498
local terms energy: -51.339930
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: 0.084
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: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -266.664710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.664710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.664710 (E_RNA)
where:
Base-Base interactions energy: -188.163
where: short stacking energy: -74.519
Base-Backbone interact. energy: -0.577
local terms energy: -77.923931
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -267.629313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.629313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.629313 (E_RNA)
where:
Base-Base interactions energy: -189.504
where: short stacking energy: -73.888
Base-Backbone interact. energy: -0.707
local terms energy: -77.418319
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -233.671061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.671061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.671061 (E_RNA)
where:
Base-Base interactions energy: -155.740
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.065
local terms energy: -77.866369
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -17.127
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: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -213.963024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.963024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.963024 (E_RNA)
where:
Base-Base interactions energy: -136.194
where: short stacking energy: -76.614
Base-Backbone interact. energy: 1.355
local terms energy: -79.124193
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.597
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: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -204.202917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.202917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.202917 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.664
local terms energy: -71.579715
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -205.780350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.780350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.780350 (E_RNA)
where:
Base-Base interactions energy: -127.276
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.722
local terms energy: -77.782285
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -22.032
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: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -126.072021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.072021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.072021 (E_RNA)
where:
Base-Base interactions energy: -49.678
where: short stacking energy: -44.673
Base-Backbone interact. energy: 0.479
local terms energy: -76.873304
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -114.771969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.771969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.771969 (E_RNA)
where:
Base-Base interactions energy: -58.868
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.101
local terms energy: -55.803272
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -2.634
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -89.014066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.014066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.014066 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -33.660
Base-Backbone interact. energy: 0.494
local terms energy: -55.847735
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -1.059
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: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -103.722959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.722959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.722959 (E_RNA)
where:
Base-Base interactions energy: -47.364
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.210
local terms energy: -56.148720
where:
bonds (distance) C4'-P energy: -5.776
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -269.146741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.146741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.146741 (E_RNA)
where:
Base-Base interactions energy: -180.689
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.989
local terms energy: -87.468930
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -262.868928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.868928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.868928 (E_RNA)
where:
Base-Base interactions energy: -181.017
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.892
local terms energy: -80.959886
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -213.702045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.702045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.702045 (E_RNA)
where:
Base-Base interactions energy: -130.893
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.633
local terms energy: -82.175416
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -17.046
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: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -219.744290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.744290 (E_RNA)
where:
Base-Base interactions energy: -154.495
where: short stacking energy: -72.256
Base-Backbone interact. energy: -0.230
local terms energy: -65.019486
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -212.078483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.078483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.078483 (E_RNA)
where:
Base-Base interactions energy: -141.396
where: short stacking energy: -74.331
Base-Backbone interact. energy: -0.656
local terms energy: -70.026196
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -3.585
tors. eta vs tors. theta energy: -20.193
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: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -208.285187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.285187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.285187 (E_RNA)
where:
Base-Base interactions energy: -133.692
where: short stacking energy: -58.029
Base-Backbone interact. energy: -0.294
local terms energy: -74.299292
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -100.268516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.268516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.268516 (E_RNA)
where:
Base-Base interactions energy: -43.445
where: short stacking energy: -43.445
Base-Backbone interact. energy: -0.190
local terms energy: -56.633990
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -90.951894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951894 (E_RNA)
where:
Base-Base interactions energy: -38.690
where: short stacking energy: -15.234
Base-Backbone interact. energy: 0.068
local terms energy: -52.329264
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.262
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: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -87.952289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.952289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.952289 (E_RNA)
where:
Base-Base interactions energy: -35.291
where: short stacking energy: -22.058
Base-Backbone interact. energy: -0.100
local terms energy: -52.561243
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -86.971952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.971952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.971952 (E_RNA)
where:
Base-Base interactions energy: -32.046
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.410
local terms energy: -54.515660
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -260.109522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.109522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.109522 (E_RNA)
where:
Base-Base interactions energy: -174.296
where: short stacking energy: -76.729
Base-Backbone interact. energy: 0.659
local terms energy: -86.472890
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -259.311282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.311282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.311282 (E_RNA)
where:
Base-Base interactions energy: -177.717
where: short stacking energy: -75.451
Base-Backbone interact. energy: 0.415
local terms energy: -82.009375
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -8.006
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: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -204.791054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.791054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791054 (E_RNA)
where:
Base-Base interactions energy: -125.221
where: short stacking energy: -66.642
Base-Backbone interact. energy: 0.003
local terms energy: -79.573654
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -205.055721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.055721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.055721 (E_RNA)
where:
Base-Base interactions energy: -125.698
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.620
local terms energy: -78.737388
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -208.660802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.660802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.660802 (E_RNA)
where:
Base-Base interactions energy: -126.392
where: short stacking energy: -60.444
Base-Backbone interact. energy: -0.138
local terms energy: -82.131038
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -198.131863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.131863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.131863 (E_RNA)
where:
Base-Base interactions energy: -121.219
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.344
local terms energy: -76.568409
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -97.289523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.289523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.289523 (E_RNA)
where:
Base-Base interactions energy: -34.014
where: short stacking energy: -23.977
Base-Backbone interact. energy: 0.656
local terms energy: -63.931233
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -11.726
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: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -95.361503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.361503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.361503 (E_RNA)
where:
Base-Base interactions energy: -41.167
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.769
local terms energy: -53.425558
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -95.968386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968386 (E_RNA)
where:
Base-Base interactions energy: -41.256
where: short stacking energy: -27.610
Base-Backbone interact. energy: -1.323
local terms energy: -53.389901
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -5.511
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -87.000227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.000227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.000227 (E_RNA)
where:
Base-Base interactions energy: -25.789
where: short stacking energy: -21.951
Base-Backbone interact. energy: -1.228
local terms energy: -59.983256
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -269.136486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.136486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.136486 (E_RNA)
where:
Base-Base interactions energy: -176.711
where: short stacking energy: -65.047
Base-Backbone interact. energy: -0.612
local terms energy: -91.813867
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -265.254921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.254921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.254921 (E_RNA)
where:
Base-Base interactions energy: -187.398
where: short stacking energy: -82.104
Base-Backbone interact. energy: 0.013
local terms energy: -77.870422
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -222.707361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.707361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.707361 (E_RNA)
where:
Base-Base interactions energy: -144.110
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.255
local terms energy: -78.342390
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -20.795
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -211.324196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.324196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.324196 (E_RNA)
where:
Base-Base interactions energy: -132.872
where: short stacking energy: -51.590
Base-Backbone interact. energy: -0.437
local terms energy: -78.014624
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -200.853649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.853649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.853649 (E_RNA)
where:
Base-Base interactions energy: -125.667
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.292
local terms energy: -74.894333
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -12.163
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: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -199.701440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.701440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.701440 (E_RNA)
where:
Base-Base interactions energy: -121.204
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.006
local terms energy: -78.491182
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -11.494
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: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -103.256679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.256679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.256679 (E_RNA)
where:
Base-Base interactions energy: -47.543
where: short stacking energy: -37.484
Base-Backbone interact. energy: -0.088
local terms energy: -55.625902
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -5.213
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: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -109.782344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.782344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.782344 (E_RNA)
where:
Base-Base interactions energy: -52.155
where: short stacking energy: -48.572
Base-Backbone interact. energy: -0.024
local terms energy: -57.603262
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -5.670
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -8.804
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: 407
Temperature: 1.300000
Total energy: -98.991854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.991854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.991854 (E_RNA)
where:
Base-Base interactions energy: -33.467
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.230
local terms energy: -65.294801
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -8.200
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: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -92.746172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746172 (E_RNA)
where:
Base-Base interactions energy: -30.299
where: short stacking energy: -27.485
Base-Backbone interact. energy: -0.087
local terms energy: -62.360460
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -272.410065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.410065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.410065 (E_RNA)
where:
Base-Base interactions energy: -182.438
where: short stacking energy: -78.405
Base-Backbone interact. energy: -0.784
local terms energy: -89.188633
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -9.844
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: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -260.157324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.157324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.157324 (E_RNA)
where:
Base-Base interactions energy: -174.999
where: short stacking energy: -64.603
Base-Backbone interact. energy: 0.245
local terms energy: -85.403770
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -211.814889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.814889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.814889 (E_RNA)
where:
Base-Base interactions energy: -130.002
where: short stacking energy: -64.589
Base-Backbone interact. energy: -0.006
local terms energy: -81.807312
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -206.304642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.304642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.304642 (E_RNA)
where:
Base-Base interactions energy: -118.731
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.101
local terms energy: -87.473142
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -20.774
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: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -207.165328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.165328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.165328 (E_RNA)
where:
Base-Base interactions energy: -129.190
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.779
local terms energy: -77.196380
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -9.014
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: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -192.766665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.766665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.766665 (E_RNA)
where:
Base-Base interactions energy: -122.222
where: short stacking energy: -62.937
Base-Backbone interact. energy: -0.004
local terms energy: -70.540156
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -18.688
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -132.321537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.321537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.321537 (E_RNA)
where:
Base-Base interactions energy: -68.915
where: short stacking energy: -47.115
Base-Backbone interact. energy: -0.633
local terms energy: -62.773165
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -100.269007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.269007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.269007 (E_RNA)
where:
Base-Base interactions energy: -35.348
where: short stacking energy: -35.348
Base-Backbone interact. energy: -0.271
local terms energy: -64.649792
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -13.389
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: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -92.473507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.473507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.473507 (E_RNA)
where:
Base-Base interactions energy: -36.593
where: short stacking energy: -33.057
Base-Backbone interact. energy: -0.047
local terms energy: -55.833115
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -96.099142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.099142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.099142 (E_RNA)
where:
Base-Base interactions energy: -37.231
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.398
local terms energy: -58.470459
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -267.534496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.534496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.534496 (E_RNA)
where:
Base-Base interactions energy: -175.069
where: short stacking energy: -75.310
Base-Backbone interact. energy: -1.425
local terms energy: -91.040736
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -278.520065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.520065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.520065 (E_RNA)
where:
Base-Base interactions energy: -189.393
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.207
local terms energy: -88.920408
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -223.434873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.434873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434873 (E_RNA)
where:
Base-Base interactions energy: -139.482
where: short stacking energy: -59.676
Base-Backbone interact. energy: 0.122
local terms energy: -84.075312
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -211.114846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.114846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.114846 (E_RNA)
where:
Base-Base interactions energy: -138.092
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.311
local terms energy: -72.712396
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -18.876
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: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -196.682700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.682700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.682700 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.212
local terms energy: -74.403612
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -188.169288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.169288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.169288 (E_RNA)
where:
Base-Base interactions energy: -118.288
where: short stacking energy: -57.204
Base-Backbone interact. energy: 0.369
local terms energy: -70.250911
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -9.014
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: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -136.544478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.544478 (E_RNA)
where:
Base-Base interactions energy: -62.884
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.268
local terms energy: -73.392941
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -8.066
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: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -100.796367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.796367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.796367 (E_RNA)
where:
Base-Base interactions energy: -30.382
where: short stacking energy: -30.332
Base-Backbone interact. energy: -0.274
local terms energy: -70.140868
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -89.357765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.357765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.357765 (E_RNA)
where:
Base-Base interactions energy: -29.858
where: short stacking energy: -25.760
Base-Backbone interact. energy: -0.137
local terms energy: -59.362911
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -2.506
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: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -77.978019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.978019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.978019 (E_RNA)
where:
Base-Base interactions energy: -23.582
where: short stacking energy: -22.885
Base-Backbone interact. energy: 0.156
local terms energy: -54.552235
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: 1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -272.916617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.916617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.916617 (E_RNA)
where:
Base-Base interactions energy: -188.715
where: short stacking energy: -70.359
Base-Backbone interact. energy: -0.218
local terms energy: -83.984092
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -254.055896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.055896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.055896 (E_RNA)
where:
Base-Base interactions energy: -159.411
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.947
local terms energy: -93.697700
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -222.007128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.007128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.007128 (E_RNA)
where:
Base-Base interactions energy: -145.883
where: short stacking energy: -68.341
Base-Backbone interact. energy: -0.076
local terms energy: -76.048186
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -18.551
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: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -216.141164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.141164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.141164 (E_RNA)
where:
Base-Base interactions energy: -137.393
where: short stacking energy: -61.439
Base-Backbone interact. energy: -1.874
local terms energy: -76.873804
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -203.629888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.629888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.629888 (E_RNA)
where:
Base-Base interactions energy: -127.637
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.905
local terms energy: -75.087027
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -211.327862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.327862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.327862 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -64.637
Base-Backbone interact. energy: -1.835
local terms energy: -76.530729
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.023
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: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -109.023594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.023594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.023594 (E_RNA)
where:
Base-Base interactions energy: -52.086
where: short stacking energy: -25.623
Base-Backbone interact. energy: 1.252
local terms energy: -58.189458
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.680
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: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -95.422131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.422131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.422131 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -29.997
Base-Backbone interact. energy: 0.099
local terms energy: -57.482027
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -94.150334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.150334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.150334 (E_RNA)
where:
Base-Base interactions energy: -37.003
where: short stacking energy: -31.825
Base-Backbone interact. energy: 1.008
local terms energy: -58.155440
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.022
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -83.395701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.395701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.395701 (E_RNA)
where:
Base-Base interactions energy: -26.911
where: short stacking energy: -25.870
Base-Backbone interact. energy: -1.006
local terms energy: -55.478702
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -2.567
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: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -275.601995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.601995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.601995 (E_RNA)
where:
Base-Base interactions energy: -193.507
where: short stacking energy: -79.437
Base-Backbone interact. energy: -0.076
local terms energy: -82.018805
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -21.327
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: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -271.677055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.677055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.677055 (E_RNA)
where:
Base-Base interactions energy: -184.417
where: short stacking energy: -71.307
Base-Backbone interact. energy: -0.483
local terms energy: -86.776508
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -213.016493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.016493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.016493 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -62.120
Base-Backbone interact. energy: 0.230
local terms energy: -77.434914
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -207.787591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.787591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.787591 (E_RNA)
where:
Base-Base interactions energy: -127.903
where: short stacking energy: -63.096
Base-Backbone interact. energy: 0.296
local terms energy: -80.181387
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -201.274466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.274466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.274466 (E_RNA)
where:
Base-Base interactions energy: -122.390
where: short stacking energy: -63.528
Base-Backbone interact. energy: -0.133
local terms energy: -78.750888
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -189.764606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.764606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.764606 (E_RNA)
where:
Base-Base interactions energy: -123.182
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.017
local terms energy: -66.564774
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -122.193136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.193136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.193136 (E_RNA)
where:
Base-Base interactions energy: -76.123
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.378
local terms energy: -45.691905
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -7.510
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: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -103.420686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.420686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.420686 (E_RNA)
where:
Base-Base interactions energy: -40.130
where: short stacking energy: -33.916
Base-Backbone interact. energy: -0.280
local terms energy: -63.010452
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -86.774769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.774769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.774769 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -15.655
Base-Backbone interact. energy: -2.069
local terms energy: -54.052780
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: 3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -93.527023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.527023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.527023 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -23.763
Base-Backbone interact. energy: -0.212
local terms energy: -53.498884
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -4.940
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: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -269.252439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.252439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.252439 (E_RNA)
where:
Base-Base interactions energy: -186.909
where: short stacking energy: -71.574
Base-Backbone interact. energy: 0.587
local terms energy: -82.930808
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -254.064141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.064141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.064141 (E_RNA)
where:
Base-Base interactions energy: -174.083
where: short stacking energy: -68.278
Base-Backbone interact. energy: -0.624
local terms energy: -79.356849
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -222.866511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.866511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.866511 (E_RNA)
where:
Base-Base interactions energy: -137.187
where: short stacking energy: -70.630
Base-Backbone interact. energy: -0.209
local terms energy: -85.470627
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -15.695
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: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -215.928402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.928402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.928402 (E_RNA)
where:
Base-Base interactions energy: -133.524
where: short stacking energy: -72.759
Base-Backbone interact. energy: -0.004
local terms energy: -82.400280
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -195.284909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.284909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.284909 (E_RNA)
where:
Base-Base interactions energy: -118.578
where: short stacking energy: -51.589
Base-Backbone interact. energy: -0.774
local terms energy: -75.931955
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -12.755
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: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -198.705971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.705971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.705971 (E_RNA)
where:
Base-Base interactions energy: -126.670
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.104
local terms energy: -71.931710
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -100.462625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.462625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.462625 (E_RNA)
where:
Base-Base interactions energy: -43.561
where: short stacking energy: -22.696
Base-Backbone interact. energy: -0.507
local terms energy: -56.394357
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -4.361
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: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -110.091786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.091786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.091786 (E_RNA)
where:
Base-Base interactions energy: -51.167
where: short stacking energy: -38.270
Base-Backbone interact. energy: -0.199
local terms energy: -58.725581
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -100.741614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.741614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.741614 (E_RNA)
where:
Base-Base interactions energy: -40.484
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.103
local terms energy: -60.154709
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -1.880
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: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -80.314104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.314104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.314104 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -19.081
Base-Backbone interact. energy: -0.266
local terms energy: -46.988820
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: 3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -280.750218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.750218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.750218 (E_RNA)
where:
Base-Base interactions energy: -192.992
where: short stacking energy: -76.411
Base-Backbone interact. energy: -0.541
local terms energy: -87.216964
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -267.855506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.855506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.855506 (E_RNA)
where:
Base-Base interactions energy: -177.811
where: short stacking energy: -79.603
Base-Backbone interact. energy: 1.859
local terms energy: -91.903825
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -210.253438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.253438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.253438 (E_RNA)
where:
Base-Base interactions energy: -123.406
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.271
local terms energy: -86.576620
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -208.912097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.912097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.912097 (E_RNA)
where:
Base-Base interactions energy: -125.046
where: short stacking energy: -63.532
Base-Backbone interact. energy: 0.283
local terms energy: -84.149091
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -15.753
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: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -190.589561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.589561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.589561 (E_RNA)
where:
Base-Base interactions energy: -119.785
where: short stacking energy: -55.656
Base-Backbone interact. energy: -0.188
local terms energy: -70.617032
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -188.126419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.126419 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -60.968
Base-Backbone interact. energy: -0.434
local terms energy: -72.091093
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -102.204320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.204320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.204320 (E_RNA)
where:
Base-Base interactions energy: -36.548
where: short stacking energy: -23.008
Base-Backbone interact. energy: -0.704
local terms energy: -64.951976
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -7.855
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: 413
Temperature: 1.250000
Total energy: -106.650197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.650197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.650197 (E_RNA)
where:
Base-Base interactions energy: -45.006
where: short stacking energy: -38.108
Base-Backbone interact. energy: -0.129
local terms energy: -61.515180
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -10.430
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: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -93.202483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.202483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.202483 (E_RNA)
where:
Base-Base interactions energy: -28.685
where: short stacking energy: -28.685
Base-Backbone interact. energy: -0.031
local terms energy: -64.486519
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -7.502
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: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -82.367785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.367785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.367785 (E_RNA)
where:
Base-Base interactions energy: -28.731
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.119
local terms energy: -53.517344
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -5.227
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -259.215485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.215485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.215485 (E_RNA)
where:
Base-Base interactions energy: -177.915
where: short stacking energy: -71.081
Base-Backbone interact. energy: -0.787
local terms energy: -80.513503
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -254.724306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.724306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.724306 (E_RNA)
where:
Base-Base interactions energy: -178.127
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.703
local terms energy: -75.893797
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -12.220
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: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -218.384204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.384204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.384204 (E_RNA)
where:
Base-Base interactions energy: -145.175
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.119
local terms energy: -73.090288
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -195.773059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.773059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.773059 (E_RNA)
where:
Base-Base interactions energy: -119.553
where: short stacking energy: -48.627
Base-Backbone interact. energy: -0.469
local terms energy: -75.751286
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -199.552672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.552672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.552672 (E_RNA)
where:
Base-Base interactions energy: -123.579
where: short stacking energy: -65.120
Base-Backbone interact. energy: 1.325
local terms energy: -77.298714
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -194.355290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.355290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.355290 (E_RNA)
where:
Base-Base interactions energy: -119.430
where: short stacking energy: -55.724
Base-Backbone interact. energy: 1.359
local terms energy: -76.283651
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -13.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -102.751888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.751888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.751888 (E_RNA)
where:
Base-Base interactions energy: -34.213
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.072
local terms energy: -68.466697
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -91.008173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.008173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.008173 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -28.369
Base-Backbone interact. energy: -0.335
local terms energy: -50.031485
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -0.435
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: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -91.387598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.387598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.387598 (E_RNA)
where:
Base-Base interactions energy: -31.716
where: short stacking energy: -30.348
Base-Backbone interact. energy: -1.210
local terms energy: -58.461239
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -2.554
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: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -89.943359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.943359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.943359 (E_RNA)
where:
Base-Base interactions energy: -29.957
where: short stacking energy: -27.492
Base-Backbone interact. energy: -0.077
local terms energy: -59.909298
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -264.760401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.760401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.760401 (E_RNA)
where:
Base-Base interactions energy: -177.937
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.194
local terms energy: -86.628787
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -18.476
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -265.934976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.934976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.934976 (E_RNA)
where:
Base-Base interactions energy: -179.523
where: short stacking energy: -73.470
Base-Backbone interact. energy: -0.559
local terms energy: -85.853450
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -217.373179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.373179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.373179 (E_RNA)
where:
Base-Base interactions energy: -141.712
where: short stacking energy: -65.977
Base-Backbone interact. energy: 0.992
local terms energy: -76.652570
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -17.668
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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -202.581050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581050 (E_RNA)
where:
Base-Base interactions energy: -127.720
where: short stacking energy: -61.034
Base-Backbone interact. energy: -0.110
local terms energy: -74.750490
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -195.149608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.149608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.149608 (E_RNA)
where:
Base-Base interactions energy: -124.555
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.119
local terms energy: -70.474907
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -12.025
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: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -191.891148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.891148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.891148 (E_RNA)
where:
Base-Base interactions energy: -109.611
where: short stacking energy: -45.498
Base-Backbone interact. energy: -0.098
local terms energy: -82.181925
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -14.910
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: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -96.415981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.415981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.415981 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -34.199
Base-Backbone interact. energy: -1.677
local terms energy: -60.540224
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -101.390221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.390221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.390221 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.201
local terms energy: -58.538445
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -89.903529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.903529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.903529 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.456
local terms energy: -50.853623
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.051
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: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -89.095151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.095151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.095151 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.283
local terms energy: -52.211181
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -276.166771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.166771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.166771 (E_RNA)
where:
Base-Base interactions energy: -187.708
where: short stacking energy: -68.581
Base-Backbone interact. energy: -0.504
local terms energy: -87.954687
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -21.338
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: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -258.168032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.168032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.168032 (E_RNA)
where:
Base-Base interactions energy: -172.465
where: short stacking energy: -73.515
Base-Backbone interact. energy: 0.452
local terms energy: -86.154968
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -200.212635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.212635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.212635 (E_RNA)
where:
Base-Base interactions energy: -124.247
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.100
local terms energy: -75.865990
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -205.110055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.110055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.110055 (E_RNA)
where:
Base-Base interactions energy: -128.379
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.283
local terms energy: -76.448371
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -193.991596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.991596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.991596 (E_RNA)
where:
Base-Base interactions energy: -116.993
where: short stacking energy: -51.832
Base-Backbone interact. energy: -0.131
local terms energy: -76.867459
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -186.830458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.830458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.830458 (E_RNA)
where:
Base-Base interactions energy: -119.013
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.176
local terms energy: -67.641469
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -120.329436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.329436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.329436 (E_RNA)
where:
Base-Base interactions energy: -58.124
where: short stacking energy: -42.999
Base-Backbone interact. energy: -1.109
local terms energy: -61.096157
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -95.321921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.321921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.321921 (E_RNA)
where:
Base-Base interactions energy: -35.105
where: short stacking energy: -35.105
Base-Backbone interact. energy: -0.201
local terms energy: -60.016527
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -97.951760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.951760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.951760 (E_RNA)
where:
Base-Base interactions energy: -47.260
where: short stacking energy: -32.348
Base-Backbone interact. energy: -1.092
local terms energy: -49.599823
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: 1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -85.163992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.163992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.163992 (E_RNA)
where:
Base-Base interactions energy: -34.358
where: short stacking energy: -33.963
Base-Backbone interact. energy: -0.646
local terms energy: -50.160174
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.649
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: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -267.938032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.938032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.938032 (E_RNA)
where:
Base-Base interactions energy: -182.659
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.764
local terms energy: -84.515078
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -18.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -220.621351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.621351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.621351 (E_RNA)
where:
Base-Base interactions energy: -138.131
where: short stacking energy: -69.294
Base-Backbone interact. energy: -0.204
local terms energy: -82.286160
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -245.773606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.773606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.773606 (E_RNA)
where:
Base-Base interactions energy: -158.187
where: short stacking energy: -69.751
Base-Backbone interact. energy: 0.022
local terms energy: -87.608963
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -208.429747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.429747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429747 (E_RNA)
where:
Base-Base interactions energy: -134.392
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.597
local terms energy: -73.441118
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -199.015442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.015442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.015442 (E_RNA)
where:
Base-Base interactions energy: -121.431
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.104
local terms energy: -77.479696
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -199.994666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.994666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.994666 (E_RNA)
where:
Base-Base interactions energy: -129.670
where: short stacking energy: -70.153
Base-Backbone interact. energy: 0.104
local terms energy: -70.428821
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -7.585
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -108.029484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.029484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.029484 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.082
local terms energy: -72.365864
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -105.211096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.211096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.211096 (E_RNA)
where:
Base-Base interactions energy: -46.476
where: short stacking energy: -39.071
Base-Backbone interact. energy: -0.356
local terms energy: -58.379391
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -84.035118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.035118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.035118 (E_RNA)
where:
Base-Base interactions energy: -30.591
where: short stacking energy: -21.180
Base-Backbone interact. energy: -0.462
local terms energy: -52.982668
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: 1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -102.545023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.545023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.545023 (E_RNA)
where:
Base-Base interactions energy: -39.102
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.428
local terms energy: -63.015033
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -269.678165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.678165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.678165 (E_RNA)
where:
Base-Base interactions energy: -186.463
where: short stacking energy: -75.727
Base-Backbone interact. energy: 0.512
local terms energy: -83.727320
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -17.329
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: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -224.666139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.666139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.666139 (E_RNA)
where:
Base-Base interactions energy: -142.320
where: short stacking energy: -68.113
Base-Backbone interact. energy: -0.131
local terms energy: -82.214937
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -19.792
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: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -255.464865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.464865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.464865 (E_RNA)
where:
Base-Base interactions energy: -177.858
where: short stacking energy: -62.435
Base-Backbone interact. energy: 0.540
local terms energy: -78.147012
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -15.640
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: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -193.377525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.377525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.377525 (E_RNA)
where:
Base-Base interactions energy: -123.044
where: short stacking energy: -62.036
Base-Backbone interact. energy: 0.303
local terms energy: -70.635816
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -203.453204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.453204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.453204 (E_RNA)
where:
Base-Base interactions energy: -124.095
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.170
local terms energy: -79.187284
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -198.837639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.837639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.837639 (E_RNA)
where:
Base-Base interactions energy: -122.918
where: short stacking energy: -48.308
Base-Backbone interact. energy: -1.194
local terms energy: -74.726395
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -107.900626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.900626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.900626 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -32.462
Base-Backbone interact. energy: 1.673
local terms energy: -72.674498
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -8.980
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: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -106.426875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.426875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.426875 (E_RNA)
where:
Base-Base interactions energy: -47.832
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.143
local terms energy: -58.452491
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -11.978
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: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -91.059938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.059938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.059938 (E_RNA)
where:
Base-Base interactions energy: -24.129
where: short stacking energy: -24.466
Base-Backbone interact. energy: 0.229
local terms energy: -67.159605
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -7.302
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: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -82.731860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.731860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.731860 (E_RNA)
where:
Base-Base interactions energy: -20.832
where: short stacking energy: -19.896
Base-Backbone interact. energy: -0.414
local terms energy: -61.485398
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.069
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: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -259.304447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.304447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.304447 (E_RNA)
where:
Base-Base interactions energy: -178.214
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.771
local terms energy: -80.319814
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -16.596
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: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -263.342713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.342713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.342713 (E_RNA)
where:
Base-Base interactions energy: -177.952
where: short stacking energy: -73.263
Base-Backbone interact. energy: -1.596
local terms energy: -83.794168
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -216.498890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.498890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.498890 (E_RNA)
where:
Base-Base interactions energy: -128.930
where: short stacking energy: -59.814
Base-Backbone interact. energy: -0.116
local terms energy: -87.452900
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -196.144138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.144138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.144138 (E_RNA)
where:
Base-Base interactions energy: -122.773
where: short stacking energy: -54.488
Base-Backbone interact. energy: -0.080
local terms energy: -73.291199
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -196.575124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.575124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.575124 (E_RNA)
where:
Base-Base interactions energy: -113.674
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.872
local terms energy: -82.028815
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -123.873590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.873590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.873590 (E_RNA)
where:
Base-Base interactions energy: -66.153
where: short stacking energy: -28.081
Base-Backbone interact. energy: 1.010
local terms energy: -58.730358
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -4.665
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: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -190.668612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.668612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.668612 (E_RNA)
where:
Base-Base interactions energy: -118.959
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.126
local terms energy: -71.583850
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -103.305637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.305637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.305637 (E_RNA)
where:
Base-Base interactions energy: -33.812
where: short stacking energy: -31.330
Base-Backbone interact. energy: -0.216
local terms energy: -69.277398
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -14.527
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: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -91.004125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.004125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.004125 (E_RNA)
where:
Base-Base interactions energy: -32.446
where: short stacking energy: -31.835
Base-Backbone interact. energy: 1.331
local terms energy: -59.889240
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -7.945
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: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -80.158840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.158840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.158840 (E_RNA)
where:
Base-Base interactions energy: -27.090
where: short stacking energy: -27.090
Base-Backbone interact. energy: -0.642
local terms energy: -52.426570
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -263.781083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.781083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.781083 (E_RNA)
where:
Base-Base interactions energy: -181.461
where: short stacking energy: -73.160
Base-Backbone interact. energy: 1.374
local terms energy: -83.693436
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -18.244
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -262.850211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.850211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.850211 (E_RNA)
where:
Base-Base interactions energy: -174.196
where: short stacking energy: -78.672
Base-Backbone interact. energy: -0.517
local terms energy: -88.137708
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -219.892141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.892141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.892141 (E_RNA)
where:
Base-Base interactions energy: -138.459
where: short stacking energy: -67.449
Base-Backbone interact. energy: -0.009
local terms energy: -81.423988
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -19.639
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: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -194.681146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.681146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.681146 (E_RNA)
where:
Base-Base interactions energy: -114.554
where: short stacking energy: -52.976
Base-Backbone interact. energy: -1.553
local terms energy: -78.574458
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -13.119
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: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -191.007835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.007835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.007835 (E_RNA)
where:
Base-Base interactions energy: -112.321
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.750
local terms energy: -77.936361
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -148.710912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.710912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.710912 (E_RNA)
where:
Base-Base interactions energy: -74.329
where: short stacking energy: -45.569
Base-Backbone interact. energy: -0.635
local terms energy: -73.746392
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -188.362018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.362018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.362018 (E_RNA)
where:
Base-Base interactions energy: -122.169
where: short stacking energy: -55.161
Base-Backbone interact. energy: -0.337
local terms energy: -65.856058
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -12.295
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: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -91.345901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.345901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.345901 (E_RNA)
where:
Base-Base interactions energy: -31.920
where: short stacking energy: -31.920
Base-Backbone interact. energy: -0.017
local terms energy: -59.408946
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -78.488827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.488827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.488827 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -21.220
Base-Backbone interact. energy: -0.087
local terms energy: -48.979170
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -86.920734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.920734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.920734 (E_RNA)
where:
Base-Base interactions energy: -28.304
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.216
local terms energy: -58.400645
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -10.647
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: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -272.982953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.982953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.982953 (E_RNA)
where:
Base-Base interactions energy: -184.263
where: short stacking energy: -77.532
Base-Backbone interact. energy: -0.605
local terms energy: -88.114474
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -262.457483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.457483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.457483 (E_RNA)
where:
Base-Base interactions energy: -174.256
where: short stacking energy: -81.491
Base-Backbone interact. energy: -0.599
local terms energy: -87.602987
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -219.950188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.950188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.950188 (E_RNA)
where:
Base-Base interactions energy: -136.900
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.458
local terms energy: -82.592380
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -199.322987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.322987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.322987 (E_RNA)
where:
Base-Base interactions energy: -120.751
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.359
local terms energy: -78.213462
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -194.967245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.967245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.967245 (E_RNA)
where:
Base-Base interactions energy: -121.088
where: short stacking energy: -57.139
Base-Backbone interact. energy: -0.443
local terms energy: -73.437027
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -16.087
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: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -199.225848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.225848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225848 (E_RNA)
where:
Base-Base interactions energy: -125.483
where: short stacking energy: -55.747
Base-Backbone interact. energy: -0.002
local terms energy: -73.741440
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -107.824464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.824464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.824464 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.474
local terms energy: -71.877520
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -101.317522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.317522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.317522 (E_RNA)
where:
Base-Base interactions energy: -42.682
where: short stacking energy: -23.005
Base-Backbone interact. energy: 0.219
local terms energy: -58.854111
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -84.234335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234335 (E_RNA)
where:
Base-Base interactions energy: -27.800
where: short stacking energy: -17.304
Base-Backbone interact. energy: -0.182
local terms energy: -56.251658
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.259
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: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -101.638992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.638992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.638992 (E_RNA)
where:
Base-Base interactions energy: -41.282
where: short stacking energy: -25.589
Base-Backbone interact. energy: 0.132
local terms energy: -60.489307
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: 0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -265.937895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.937895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.937895 (E_RNA)
where:
Base-Base interactions energy: -174.553
where: short stacking energy: -80.833
Base-Backbone interact. energy: -0.112
local terms energy: -91.273337
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -268.506842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.506842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.506842 (E_RNA)
where:
Base-Base interactions energy: -181.674
where: short stacking energy: -77.881
Base-Backbone interact. energy: -0.222
local terms energy: -86.611364
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -13.692
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: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -210.684644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.684644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.684644 (E_RNA)
where:
Base-Base interactions energy: -129.742
where: short stacking energy: -61.039
Base-Backbone interact. energy: -1.460
local terms energy: -79.482813
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -15.062
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: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -202.910205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.910205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.910205 (E_RNA)
where:
Base-Base interactions energy: -122.967
where: short stacking energy: -64.033
Base-Backbone interact. energy: 0.124
local terms energy: -80.067121
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -193.086058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.086058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.086058 (E_RNA)
where:
Base-Base interactions energy: -118.017
where: short stacking energy: -52.386
Base-Backbone interact. energy: -0.089
local terms energy: -74.980169
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -8.880
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: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -193.891601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.891601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.891601 (E_RNA)
where:
Base-Base interactions energy: -120.770
where: short stacking energy: -58.258
Base-Backbone interact. energy: -0.162
local terms energy: -72.960076
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -105.092880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.092880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.092880 (E_RNA)
where:
Base-Base interactions energy: -33.939
where: short stacking energy: -30.964
Base-Backbone interact. energy: -0.253
local terms energy: -70.901372
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -108.419598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.419598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.419598 (E_RNA)
where:
Base-Base interactions energy: -46.908
where: short stacking energy: -43.626
Base-Backbone interact. energy: -0.220
local terms energy: -61.291791
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.904
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: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -96.527417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.527417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.527417 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -31.542
Base-Backbone interact. energy: -0.146
local terms energy: -56.357940
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -87.121705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.121705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.121705 (E_RNA)
where:
Base-Base interactions energy: -31.866
where: short stacking energy: -31.866
Base-Backbone interact. energy: -0.180
local terms energy: -55.075441
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -6.414
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -269.447102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.447102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.447102 (E_RNA)
where:
Base-Base interactions energy: -175.830
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.618
local terms energy: -92.999177
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -272.969400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.969400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.969400 (E_RNA)
where:
Base-Base interactions energy: -189.482
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.861
local terms energy: -82.626697
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -217.594641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.594641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.594641 (E_RNA)
where:
Base-Base interactions energy: -143.480
where: short stacking energy: -75.383
Base-Backbone interact. energy: -0.014
local terms energy: -74.101219
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -15.887
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: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -207.290439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.290439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.290439 (E_RNA)
where:
Base-Base interactions energy: -129.712
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.029
local terms energy: -77.549898
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -210.239826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.239826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.239826 (E_RNA)
where:
Base-Base interactions energy: -127.037
where: short stacking energy: -50.884
Base-Backbone interact. energy: -0.009
local terms energy: -83.193638
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -193.507546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.507546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.507546 (E_RNA)
where:
Base-Base interactions energy: -127.122
where: short stacking energy: -61.847
Base-Backbone interact. energy: -0.211
local terms energy: -66.175409
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -12.971
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: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -106.019146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.019146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.019146 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.182
local terms energy: -64.548734
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -110.463892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.463892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.463892 (E_RNA)
where:
Base-Base interactions energy: -55.993
where: short stacking energy: -37.432
Base-Backbone interact. energy: -0.128
local terms energy: -54.342410
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -2.077
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: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -93.062018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.062018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.062018 (E_RNA)
where:
Base-Base interactions energy: -31.312
where: short stacking energy: -27.630
Base-Backbone interact. energy: -0.189
local terms energy: -61.561681
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -5.695
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: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -89.741187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.741187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.741187 (E_RNA)
where:
Base-Base interactions energy: -30.423
where: short stacking energy: -19.948
Base-Backbone interact. energy: -0.063
local terms energy: -59.254964
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.082
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: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -270.353156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.353156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.353156 (E_RNA)
where:
Base-Base interactions energy: -178.228
where: short stacking energy: -78.986
Base-Backbone interact. energy: 0.299
local terms energy: -92.424324
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -267.767616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.767616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.767616 (E_RNA)
where:
Base-Base interactions energy: -179.228
where: short stacking energy: -69.654
Base-Backbone interact. energy: -0.582
local terms energy: -87.957881
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -228.806344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.806344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.806344 (E_RNA)
where:
Base-Base interactions energy: -148.288
where: short stacking energy: -66.837
Base-Backbone interact. energy: 0.560
local terms energy: -81.078322
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -17.924
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: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -197.216626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.216626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.216626 (E_RNA)
where:
Base-Base interactions energy: -125.949
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.211
local terms energy: -71.056523
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -205.462862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.462862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.462862 (E_RNA)
where:
Base-Base interactions energy: -135.397
where: short stacking energy: -56.628
Base-Backbone interact. energy: -0.783
local terms energy: -69.282948
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -191.131333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.131333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.131333 (E_RNA)
where:
Base-Base interactions energy: -128.733
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.622
local terms energy: -61.775902
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -101.981350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.981350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.981350 (E_RNA)
where:
Base-Base interactions energy: -61.152
where: short stacking energy: -23.033
Base-Backbone interact. energy: -0.331
local terms energy: -40.498626
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -3.235
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -99.898879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.898879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.898879 (E_RNA)
where:
Base-Base interactions energy: -42.683
where: short stacking energy: -29.728
Base-Backbone interact. energy: -0.108
local terms energy: -57.108289
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.743
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: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -81.296870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.296870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.296870 (E_RNA)
where:
Base-Base interactions energy: -29.129
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.438
local terms energy: -51.730125
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -5.636
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: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -95.619070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.619070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.619070 (E_RNA)
where:
Base-Base interactions energy: -49.997
where: short stacking energy: -25.947
Base-Backbone interact. energy: 1.151
local terms energy: -46.772588
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -274.495895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.495895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.495895 (E_RNA)
where:
Base-Base interactions energy: -185.776
where: short stacking energy: -75.972
Base-Backbone interact. energy: -0.547
local terms energy: -88.172734
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -25.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -263.582662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.582662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.582662 (E_RNA)
where:
Base-Base interactions energy: -171.089
where: short stacking energy: -65.609
Base-Backbone interact. energy: 0.705
local terms energy: -93.198121
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -209.356611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.356611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.356611 (E_RNA)
where:
Base-Base interactions energy: -135.771
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.019
local terms energy: -73.566478
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -212.980901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.980901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.980901 (E_RNA)
where:
Base-Base interactions energy: -130.860
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.662
local terms energy: -81.458758
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -193.140875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.140875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.140875 (E_RNA)
where:
Base-Base interactions energy: -122.898
where: short stacking energy: -51.419
Base-Backbone interact. energy: -0.154
local terms energy: -70.088279
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -199.260875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.260875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.260875 (E_RNA)
where:
Base-Base interactions energy: -117.298
where: short stacking energy: -51.926
Base-Backbone interact. energy: -0.560
local terms energy: -81.403826
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -102.313036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.313036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.313036 (E_RNA)
where:
Base-Base interactions energy: -43.707
where: short stacking energy: -43.707
Base-Backbone interact. energy: -1.223
local terms energy: -57.382437
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -94.873284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.873284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.873284 (E_RNA)
where:
Base-Base interactions energy: -29.738
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.204
local terms energy: -64.931591
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -98.554172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.554172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.554172 (E_RNA)
where:
Base-Base interactions energy: -45.612
where: short stacking energy: -25.234
Base-Backbone interact. energy: -0.335
local terms energy: -52.607654
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.042
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: 425
Temperature: 1.350000
Total energy: -89.757212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.757212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.757212 (E_RNA)
where:
Base-Base interactions energy: -43.442
where: short stacking energy: -22.683
Base-Backbone interact. energy: -0.471
local terms energy: -45.844216
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -273.886355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.886355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.886355 (E_RNA)
where:
Base-Base interactions energy: -187.878
where: short stacking energy: -76.051
Base-Backbone interact. energy: -0.548
local terms energy: -85.460909
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -22.197
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: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -251.297142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.297142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.297142 (E_RNA)
where:
Base-Base interactions energy: -170.523
where: short stacking energy: -66.170
Base-Backbone interact. energy: 0.257
local terms energy: -81.031082
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -10.711
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: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -219.800705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.800705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800705 (E_RNA)
where:
Base-Base interactions energy: -135.443
where: short stacking energy: -61.704
Base-Backbone interact. energy: -1.416
local terms energy: -82.941817
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -13.679
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: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -208.056548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.056548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.056548 (E_RNA)
where:
Base-Base interactions energy: -130.834
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.052
local terms energy: -77.169967
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -201.232143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.232143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.232143 (E_RNA)
where:
Base-Base interactions energy: -124.719
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.270
local terms energy: -76.243198
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -196.620060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.620060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.620060 (E_RNA)
where:
Base-Base interactions energy: -122.476
where: short stacking energy: -60.606
Base-Backbone interact. energy: -0.174
local terms energy: -73.970509
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -14.632
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: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -174.296183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.296183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.296183 (E_RNA)
where:
Base-Base interactions energy: -103.458
where: short stacking energy: -52.618
Base-Backbone interact. energy: -0.095
local terms energy: -70.742870
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -98.391897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.391897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.391897 (E_RNA)
where:
Base-Base interactions energy: -39.308
where: short stacking energy: -31.539
Base-Backbone interact. energy: -0.158
local terms energy: -58.925963
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -4.651
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: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -85.897866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.897866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.897866 (E_RNA)
where:
Base-Base interactions energy: -37.458
where: short stacking energy: -34.738
Base-Backbone interact. energy: -0.029
local terms energy: -48.410011
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: 3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -95.404634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.404634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.404634 (E_RNA)
where:
Base-Base interactions energy: -38.402
where: short stacking energy: -30.027
Base-Backbone interact. energy: 1.805
local terms energy: -58.808285
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -269.847410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.847410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.847410 (E_RNA)
where:
Base-Base interactions energy: -184.538
where: short stacking energy: -82.027
Base-Backbone interact. energy: -0.947
local terms energy: -84.362294
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -224.113986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.113986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.113986 (E_RNA)
where:
Base-Base interactions energy: -132.986
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.077
local terms energy: -91.051043
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -263.613612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.613612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.613612 (E_RNA)
where:
Base-Base interactions energy: -176.592
where: short stacking energy: -77.959
Base-Backbone interact. energy: 3.345
local terms energy: -90.366777
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -24.661
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: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -193.268923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.268923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.268923 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -55.637
Base-Backbone interact. energy: -0.014
local terms energy: -73.595356
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.924
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: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -204.138527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.138527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.138527 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -61.324
Base-Backbone interact. energy: -0.324
local terms energy: -80.527918
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -191.317483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.317483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.317483 (E_RNA)
where:
Base-Base interactions energy: -120.161
where: short stacking energy: -50.263
Base-Backbone interact. energy: -0.295
local terms energy: -70.861953
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.578
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: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -203.330719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.330719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.330719 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -61.493
Base-Backbone interact. energy: -0.056
local terms energy: -76.648402
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -101.403447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.403447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.403447 (E_RNA)
where:
Base-Base interactions energy: -42.696
where: short stacking energy: -40.908
Base-Backbone interact. energy: -1.568
local terms energy: -57.139591
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -88.982422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.982422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.982422 (E_RNA)
where:
Base-Base interactions energy: -40.260
where: short stacking energy: -35.536
Base-Backbone interact. energy: -0.178
local terms energy: -48.544468
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -80.530376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.530376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.530376 (E_RNA)
where:
Base-Base interactions energy: -35.748
where: short stacking energy: -35.748
Base-Backbone interact. energy: 0.101
local terms energy: -44.883287
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -6.633
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -262.059362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.059362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.059362 (E_RNA)
where:
Base-Base interactions energy: -174.024
where: short stacking energy: -66.109
Base-Backbone interact. energy: -1.289
local terms energy: -86.746946
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -229.335973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.335973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.335973 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -75.774
Base-Backbone interact. energy: -1.363
local terms energy: -87.112878
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -19.507
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: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -252.134993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.134993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.134993 (E_RNA)
where:
Base-Base interactions energy: -163.799
where: short stacking energy: -63.323
Base-Backbone interact. energy: -1.507
local terms energy: -86.828897
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -203.967630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.967630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.967630 (E_RNA)
where:
Base-Base interactions energy: -132.505
where: short stacking energy: -60.995
Base-Backbone interact. energy: -0.260
local terms energy: -71.202986
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -213.230635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.230635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.230635 (E_RNA)
where:
Base-Base interactions energy: -129.119
where: short stacking energy: -65.609
Base-Backbone interact. energy: -0.052
local terms energy: -84.059349
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -190.551438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.551438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.551438 (E_RNA)
where:
Base-Base interactions energy: -119.851
where: short stacking energy: -50.788
Base-Backbone interact. energy: -0.151
local terms energy: -70.548641
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -187.321383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.321383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.321383 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -61.025
Base-Backbone interact. energy: -0.118
local terms energy: -64.069350
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -12.509
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: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -97.090791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.090791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.090791 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -30.776
Base-Backbone interact. energy: 0.121
local terms energy: -56.391207
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -4.153
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: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -90.478834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478834 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -36.883
Base-Backbone interact. energy: 0.612
local terms energy: -54.207885
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -88.988744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988744 (E_RNA)
where:
Base-Base interactions energy: -35.533
where: short stacking energy: -19.411
Base-Backbone interact. energy: -0.718
local terms energy: -52.737468
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: 3.416
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: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -264.857198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.857198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.857198 (E_RNA)
where:
Base-Base interactions energy: -181.443
where: short stacking energy: -76.110
Base-Backbone interact. energy: -0.519
local terms energy: -82.894991
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -265.721381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.721381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.721381 (E_RNA)
where:
Base-Base interactions energy: -181.240
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.607
local terms energy: -83.874936
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -213.930205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.930205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.930205 (E_RNA)
where:
Base-Base interactions energy: -126.218
where: short stacking energy: -68.502
Base-Backbone interact. energy: -0.020
local terms energy: -87.693048
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -14.192
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: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -211.940911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.940911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.940911 (E_RNA)
where:
Base-Base interactions energy: -133.908
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.154
local terms energy: -77.878941
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -220.488312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.488312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.488312 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -67.801
Base-Backbone interact. energy: -0.583
local terms energy: -77.859460
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -207.546310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.546310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.546310 (E_RNA)
where:
Base-Base interactions energy: -130.865
where: short stacking energy: -55.182
Base-Backbone interact. energy: -0.221
local terms energy: -76.459591
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -15.699
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: 429
Temperature: 1.200000
Total energy: -200.398523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.398523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.398523 (E_RNA)
where:
Base-Base interactions energy: -129.542
where: short stacking energy: -56.139
Base-Backbone interact. energy: 1.394
local terms energy: -72.250982
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -12.232
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: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -99.086513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.086513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.086513 (E_RNA)
where:
Base-Base interactions energy: -37.226
where: short stacking energy: -37.226
Base-Backbone interact. energy: -0.214
local terms energy: -61.646102
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -97.183604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.183604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.183604 (E_RNA)
where:
Base-Base interactions energy: -34.202
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.111
local terms energy: -62.871390
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -95.481157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.481157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.481157 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.358
local terms energy: -57.081681
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -277.730492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.730492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.730492 (E_RNA)
where:
Base-Base interactions energy: -190.000
where: short stacking energy: -81.834
Base-Backbone interact. energy: -0.554
local terms energy: -87.175953
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -264.380237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.380237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.380237 (E_RNA)
where:
Base-Base interactions energy: -180.257
where: short stacking energy: -73.127
Base-Backbone interact. energy: 0.599
local terms energy: -84.722206
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -16.935
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: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -212.786496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.786496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.786496 (E_RNA)
where:
Base-Base interactions energy: -134.441
where: short stacking energy: -60.016
Base-Backbone interact. energy: 0.880
local terms energy: -79.226250
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -209.387917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.387917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.387917 (E_RNA)
where:
Base-Base interactions energy: -128.044
where: short stacking energy: -70.179
Base-Backbone interact. energy: -0.022
local terms energy: -81.322477
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -22.741
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: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -212.233419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.233419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.233419 (E_RNA)
where:
Base-Base interactions energy: -136.191
where: short stacking energy: -61.141
Base-Backbone interact. energy: -0.040
local terms energy: -76.002579
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -16.911
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: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -197.992977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.992977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.992977 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.155
local terms energy: -76.785383
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -192.330205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.330205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.330205 (E_RNA)
where:
Base-Base interactions energy: -121.633
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.755
local terms energy: -69.941484
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -102.983381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.983381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.983381 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -38.557
Base-Backbone interact. energy: -0.807
local terms energy: -60.462338
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -92.985703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.985703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.985703 (E_RNA)
where:
Base-Base interactions energy: -35.280
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.284
local terms energy: -57.422009
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -89.206362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.206362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.206362 (E_RNA)
where:
Base-Base interactions energy: -42.743
where: short stacking energy: -32.704
Base-Backbone interact. energy: -0.576
local terms energy: -45.887792
where:
bonds (distance) C4'-P energy: -7.912
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -266.250353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.250353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.250353 (E_RNA)
where:
Base-Base interactions energy: -172.063
where: short stacking energy: -70.461
Base-Backbone interact. energy: -1.167
local terms energy: -93.019789
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -261.195852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.195852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.195852 (E_RNA)
where:
Base-Base interactions energy: -177.740
where: short stacking energy: -72.337
Base-Backbone interact. energy: -0.645
local terms energy: -82.811059
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -21.958
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: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -215.016081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.016081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.016081 (E_RNA)
where:
Base-Base interactions energy: -135.938
where: short stacking energy: -61.682
Base-Backbone interact. energy: -0.041
local terms energy: -79.037847
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -12.735
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: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -206.772452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.772452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.772452 (E_RNA)
where:
Base-Base interactions energy: -126.684
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.157
local terms energy: -79.931649
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -18.836
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: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -209.158869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.158869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.158869 (E_RNA)
where:
Base-Base interactions energy: -123.244
where: short stacking energy: -64.936
Base-Backbone interact. energy: 1.086
local terms energy: -87.000566
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -14.745
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: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -199.524687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.524687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.524687 (E_RNA)
where:
Base-Base interactions energy: -123.337
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.048
local terms energy: -76.139747
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -188.762494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.762494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.762494 (E_RNA)
where:
Base-Base interactions energy: -117.547
where: short stacking energy: -57.764
Base-Backbone interact. energy: -0.501
local terms energy: -70.714386
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -9.580
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: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -104.326430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.326430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.326430 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.195
local terms energy: -63.891888
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.106
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: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -92.048914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.048914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.048914 (E_RNA)
where:
Base-Base interactions energy: -32.293
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.112
local terms energy: -59.643407
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -10.962
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: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -82.549013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549013 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -18.779
Base-Backbone interact. energy: 0.010
local terms energy: -46.593422
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -7.850
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -267.368564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.368564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.368564 (E_RNA)
where:
Base-Base interactions energy: -180.772
where: short stacking energy: -69.887
Base-Backbone interact. energy: 1.760
local terms energy: -88.356055
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -263.227233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.227233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.227233 (E_RNA)
where:
Base-Base interactions energy: -173.531
where: short stacking energy: -70.471
Base-Backbone interact. energy: 1.126
local terms energy: -90.822134
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -20.641
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: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -223.718860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.718860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.718860 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -73.521
Base-Backbone interact. energy: -0.024
local terms energy: -74.708154
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -7.285
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -214.202419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.202419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.202419 (E_RNA)
where:
Base-Base interactions energy: -129.022
where: short stacking energy: -69.910
Base-Backbone interact. energy: -0.061
local terms energy: -85.118727
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -200.640270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.640270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.640270 (E_RNA)
where:
Base-Base interactions energy: -125.851
where: short stacking energy: -56.708
Base-Backbone interact. energy: 0.390
local terms energy: -75.179323
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -11.338
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: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -199.702729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.702729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.702729 (E_RNA)
where:
Base-Base interactions energy: -122.766
where: short stacking energy: -48.146
Base-Backbone interact. energy: -0.626
local terms energy: -76.310578
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -9.923
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: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -209.779576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.779576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.779576 (E_RNA)
where:
Base-Base interactions energy: -143.376
where: short stacking energy: -63.217
Base-Backbone interact. energy: -1.084
local terms energy: -65.320036
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -106.097328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097328 (E_RNA)
where:
Base-Base interactions energy: -48.203
where: short stacking energy: -48.203
Base-Backbone interact. energy: -0.121
local terms energy: -57.773391
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -6.562
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: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -95.000492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.000492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.000492 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -27.663
Base-Backbone interact. energy: 1.315
local terms energy: -59.456051
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -5.270
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: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -80.066412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.066412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.066412 (E_RNA)
where:
Base-Base interactions energy: -25.639
where: short stacking energy: -18.630
Base-Backbone interact. energy: -0.237
local terms energy: -54.189867
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -268.611301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.611301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.611301 (E_RNA)
where:
Base-Base interactions energy: -184.772
where: short stacking energy: -81.461
Base-Backbone interact. energy: 0.510
local terms energy: -84.349490
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -248.236974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.236974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.236974 (E_RNA)
where:
Base-Base interactions energy: -162.107
where: short stacking energy: -61.724
Base-Backbone interact. energy: 0.497
local terms energy: -86.626343
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -217.323319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.323319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.323319 (E_RNA)
where:
Base-Base interactions energy: -132.110
where: short stacking energy: -67.645
Base-Backbone interact. energy: -0.170
local terms energy: -85.042887
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -14.541
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: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -201.988413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.988413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.988413 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -66.964
Base-Backbone interact. energy: -0.407
local terms energy: -76.208924
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.273
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: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -199.288544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.288544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.288544 (E_RNA)
where:
Base-Base interactions energy: -124.405
where: short stacking energy: -62.032
Base-Backbone interact. energy: -0.958
local terms energy: -73.926093
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -195.728023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.728023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.728023 (E_RNA)
where:
Base-Base interactions energy: -120.594
where: short stacking energy: -56.151
Base-Backbone interact. energy: -0.034
local terms energy: -75.099712
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.118
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: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -191.498394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.498394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.498394 (E_RNA)
where:
Base-Base interactions energy: -118.265
where: short stacking energy: -52.423
Base-Backbone interact. energy: -0.422
local terms energy: -72.811693
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -95.523602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.523602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.523602 (E_RNA)
where:
Base-Base interactions energy: -37.154
where: short stacking energy: -21.999
Base-Backbone interact. energy: -0.453
local terms energy: -57.916242
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -0.287
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: 433
Temperature: 1.300000
Total energy: -90.735525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.735525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.735525 (E_RNA)
where:
Base-Base interactions energy: -23.663
where: short stacking energy: -22.675
Base-Backbone interact. energy: -0.237
local terms energy: -66.835175
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -93.302161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302161 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -28.064
Base-Backbone interact. energy: -0.178
local terms energy: -52.480503
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: 3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -261.318841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.318841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.318841 (E_RNA)
where:
Base-Base interactions energy: -175.974
where: short stacking energy: -66.084
Base-Backbone interact. energy: -0.922
local terms energy: -84.422446
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -255.545559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.545559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.545559 (E_RNA)
where:
Base-Base interactions energy: -172.209
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.336
local terms energy: -83.000816
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -215.729501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.729501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.729501 (E_RNA)
where:
Base-Base interactions energy: -139.049
where: short stacking energy: -70.194
Base-Backbone interact. energy: 0.065
local terms energy: -76.745485
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -14.636
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: 434
Temperature: 1.050000
Total energy: -203.378654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.378654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.378654 (E_RNA)
where:
Base-Base interactions energy: -126.237
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.392
local terms energy: -76.750147
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -210.691809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.691809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.691809 (E_RNA)
where:
Base-Base interactions energy: -136.329
where: short stacking energy: -57.473
Base-Backbone interact. energy: -0.010
local terms energy: -74.353009
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -17.998
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: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -199.527546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.527546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.527546 (E_RNA)
where:
Base-Base interactions energy: -127.062
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.540
local terms energy: -71.925619
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -183.094140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.094140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.094140 (E_RNA)
where:
Base-Base interactions energy: -118.860
where: short stacking energy: -50.094
Base-Backbone interact. energy: -0.110
local terms energy: -64.123832
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -14.661
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: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -97.670881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.670881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.670881 (E_RNA)
where:
Base-Base interactions energy: -32.375
where: short stacking energy: -30.373
Base-Backbone interact. energy: -0.203
local terms energy: -65.092983
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -9.533
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: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -92.735007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.735007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.735007 (E_RNA)
where:
Base-Base interactions energy: -24.392
where: short stacking energy: -18.919
Base-Backbone interact. energy: -1.083
local terms energy: -67.260002
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -90.757594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.757594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.757594 (E_RNA)
where:
Base-Base interactions energy: -37.372
where: short stacking energy: -36.504
Base-Backbone interact. energy: -0.522
local terms energy: -52.863917
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -11.510
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: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -275.419506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.419506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.419506 (E_RNA)
where:
Base-Base interactions energy: -184.113
where: short stacking energy: -74.923
Base-Backbone interact. energy: -1.162
local terms energy: -90.144520
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -13.362
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: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -257.935663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.935663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.935663 (E_RNA)
where:
Base-Base interactions energy: -171.462
where: short stacking energy: -68.334
Base-Backbone interact. energy: -0.700
local terms energy: -85.773481
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -12.357
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: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -206.186707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.186707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.186707 (E_RNA)
where:
Base-Base interactions energy: -132.073
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.653
local terms energy: -73.460051
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -9.270
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: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -204.187521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.187521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.187521 (E_RNA)
where:
Base-Base interactions energy: -122.169
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.113
local terms energy: -81.905249
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.898
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: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -209.902988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.902988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.902988 (E_RNA)
where:
Base-Base interactions energy: -134.520
where: short stacking energy: -66.469
Base-Backbone interact. energy: -0.905
local terms energy: -74.477190
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -198.346776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.346776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346776 (E_RNA)
where:
Base-Base interactions energy: -114.675
where: short stacking energy: -49.735
Base-Backbone interact. energy: -1.442
local terms energy: -82.229346
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -195.395561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.395561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.395561 (E_RNA)
where:
Base-Base interactions energy: -119.228
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.037
local terms energy: -76.130176
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -16.051
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: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -104.030545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.030545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.030545 (E_RNA)
where:
Base-Base interactions energy: -45.780
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.270
local terms energy: -57.980946
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -97.914541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.914541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.914541 (E_RNA)
where:
Base-Base interactions energy: -37.445
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.470
local terms energy: -59.999489
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: 3.926
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: 435
Temperature: 1.350000
Total energy: -97.392980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.392980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.392980 (E_RNA)
where:
Base-Base interactions energy: -43.713
where: short stacking energy: -43.305
Base-Backbone interact. energy: -0.134
local terms energy: -53.545342
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -267.102032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.102032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.102032 (E_RNA)
where:
Base-Base interactions energy: -180.099
where: short stacking energy: -76.544
Base-Backbone interact. energy: -0.662
local terms energy: -86.340915
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -23.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -258.843864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.843864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.843864 (E_RNA)
where:
Base-Base interactions energy: -169.511
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.888
local terms energy: -88.444411
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -211.459474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.459474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.459474 (E_RNA)
where:
Base-Base interactions energy: -130.062
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.344
local terms energy: -81.053114
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -208.168950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.168950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.168950 (E_RNA)
where:
Base-Base interactions energy: -127.899
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.009
local terms energy: -80.260565
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -204.723501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.723501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.723501 (E_RNA)
where:
Base-Base interactions energy: -131.538
where: short stacking energy: -62.084
Base-Backbone interact. energy: -0.054
local terms energy: -73.130655
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -206.332562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.332562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.332562 (E_RNA)
where:
Base-Base interactions energy: -127.134
where: short stacking energy: -59.389
Base-Backbone interact. energy: -0.134
local terms energy: -79.065023
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -190.466595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.466595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.466595 (E_RNA)
where:
Base-Base interactions energy: -124.622
where: short stacking energy: -59.045
Base-Backbone interact. energy: 1.429
local terms energy: -67.273469
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -90.451648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.451648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.451648 (E_RNA)
where:
Base-Base interactions energy: -41.825
where: short stacking energy: -24.348
Base-Backbone interact. energy: -0.236
local terms energy: -48.391308
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: 0.580
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: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -93.098300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.098300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.098300 (E_RNA)
where:
Base-Base interactions energy: -23.487
where: short stacking energy: -23.487
Base-Backbone interact. energy: -0.165
local terms energy: -69.446203
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -96.074183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.074183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.074183 (E_RNA)
where:
Base-Base interactions energy: -44.570
where: short stacking energy: -38.864
Base-Backbone interact. energy: 2.738
local terms energy: -54.242873
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -10.610
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -270.171204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.171204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.171204 (E_RNA)
where:
Base-Base interactions energy: -181.008
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.878
local terms energy: -88.284903
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -19.685
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: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -265.724187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.724187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.724187 (E_RNA)
where:
Base-Base interactions energy: -168.409
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.133
local terms energy: -97.182268
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -22.819
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: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -212.351495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.351495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.351495 (E_RNA)
where:
Base-Base interactions energy: -133.156
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.064
local terms energy: -79.131532
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -210.443792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.443792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.443792 (E_RNA)
where:
Base-Base interactions energy: -126.929
where: short stacking energy: -64.462
Base-Backbone interact. energy: -0.541
local terms energy: -82.973745
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -13.489
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: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -201.691083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.691083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.691083 (E_RNA)
where:
Base-Base interactions energy: -123.420
where: short stacking energy: -57.554
Base-Backbone interact. energy: -0.017
local terms energy: -78.254321
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -192.429587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.429587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.429587 (E_RNA)
where:
Base-Base interactions energy: -115.607
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.622
local terms energy: -76.201021
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -17.544
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: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -199.159041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.159041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.159041 (E_RNA)
where:
Base-Base interactions energy: -124.321
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.252
local terms energy: -74.586079
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -14.520
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: 437
Temperature: 1.250000
Total energy: -88.602887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.602887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.602887 (E_RNA)
where:
Base-Base interactions energy: -27.995
where: short stacking energy: -27.995
Base-Backbone interact. energy: 0.223
local terms energy: -60.831466
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -104.937288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.937288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.937288 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -37.934
Base-Backbone interact. energy: -0.100
local terms energy: -64.569908
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -92.052060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.052060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.052060 (E_RNA)
where:
Base-Base interactions energy: -50.912
where: short stacking energy: -16.367
Base-Backbone interact. energy: -0.600
local terms energy: -40.539911
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: 1.980
tors. eta vs tors. theta energy: -0.256
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: 438
Temperature: 0.900000
Total energy: -267.478082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.478082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.478082 (E_RNA)
where:
Base-Base interactions energy: -183.628
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.944
local terms energy: -82.906115
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -7.634
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: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -256.013970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.013970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.013970 (E_RNA)
where:
Base-Base interactions energy: -173.191
where: short stacking energy: -75.213
Base-Backbone interact. energy: -0.649
local terms energy: -82.174002
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -223.631653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.631653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.631653 (E_RNA)
where:
Base-Base interactions energy: -138.378
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.162
local terms energy: -85.092115
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -20.013
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: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -205.826617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.826617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.826617 (E_RNA)
where:
Base-Base interactions energy: -132.375
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.407
local terms energy: -73.044240
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -199.816775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.816775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.816775 (E_RNA)
where:
Base-Base interactions energy: -119.232
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.404
local terms energy: -80.180572
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -14.849
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: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -202.610197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.610197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.610197 (E_RNA)
where:
Base-Base interactions energy: -127.024
where: short stacking energy: -70.520
Base-Backbone interact. energy: -0.036
local terms energy: -75.550443
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -10.624
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: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -191.074827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.074827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.074827 (E_RNA)
where:
Base-Base interactions energy: -125.219
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.398
local terms energy: -65.457668
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -99.062605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.062605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.062605 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -26.725
Base-Backbone interact. energy: -0.156
local terms energy: -59.666157
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -97.545590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.545590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.545590 (E_RNA)
where:
Base-Base interactions energy: -28.652
where: short stacking energy: -26.324
Base-Backbone interact. energy: -0.356
local terms energy: -68.536811
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -89.927335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.927335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.927335 (E_RNA)
where:
Base-Base interactions energy: -20.390
where: short stacking energy: -20.390
Base-Backbone interact. energy: -0.325
local terms energy: -69.212653
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -10.969
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: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -267.973116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.973116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.973116 (E_RNA)
where:
Base-Base interactions energy: -176.650
where: short stacking energy: -79.341
Base-Backbone interact. energy: -1.089
local terms energy: -90.234507
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -266.103481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.103481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.103481 (E_RNA)
where:
Base-Base interactions energy: -182.046
where: short stacking energy: -75.157
Base-Backbone interact. energy: -0.502
local terms energy: -83.555066
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -213.939363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.939363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.939363 (E_RNA)
where:
Base-Base interactions energy: -131.653
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.014
local terms energy: -82.272794
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -207.456358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.456358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.456358 (E_RNA)
where:
Base-Base interactions energy: -131.143
where: short stacking energy: -65.056
Base-Backbone interact. energy: 0.038
local terms energy: -76.352010
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -15.647
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: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -195.320215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.320215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.320215 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.142
local terms energy: -77.252066
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -10.737
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: 439
Temperature: 1.150000
Total energy: -197.242491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.242491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.242491 (E_RNA)
where:
Base-Base interactions energy: -120.294
where: short stacking energy: -61.218
Base-Backbone interact. energy: -0.026
local terms energy: -76.922925
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -192.788606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.788606 (E_RNA)
where:
Base-Base interactions energy: -121.686
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.077
local terms energy: -71.025744
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -14.765
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: 439
Temperature: 1.250000
Total energy: -97.098921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.098921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.098921 (E_RNA)
where:
Base-Base interactions energy: -42.038
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.051
local terms energy: -55.009671
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -93.541481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.541481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.541481 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.688
local terms energy: -59.610652
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.937
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: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -86.375354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.375354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.375354 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -33.289
Base-Backbone interact. energy: -0.246
local terms energy: -52.840146
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -7.169
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: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -264.547257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.547257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.547257 (E_RNA)
where:
Base-Base interactions energy: -174.692
where: short stacking energy: -75.839
Base-Backbone interact. energy: -0.578
local terms energy: -89.276694
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -14.127
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: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -253.976138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.976138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.976138 (E_RNA)
where:
Base-Base interactions energy: -170.401
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.461
local terms energy: -83.113430
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -16.379
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: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -220.000530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.000530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.000530 (E_RNA)
where:
Base-Base interactions energy: -142.612
where: short stacking energy: -70.084
Base-Backbone interact. energy: -0.660
local terms energy: -76.728917
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.827
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: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -219.167907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.167907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.167907 (E_RNA)
where:
Base-Base interactions energy: -147.103
where: short stacking energy: -77.152
Base-Backbone interact. energy: -0.022
local terms energy: -72.042311
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.177
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: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -201.022103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.022103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.022103 (E_RNA)
where:
Base-Base interactions energy: -125.398
where: short stacking energy: -65.867
Base-Backbone interact. energy: -0.067
local terms energy: -75.556705
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -189.071587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.071587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.071587 (E_RNA)
where:
Base-Base interactions energy: -121.112
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.927
local terms energy: -67.033086
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -205.299645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.299645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.299645 (E_RNA)
where:
Base-Base interactions energy: -124.674
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.283
local terms energy: -80.342219
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -100.693805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.693805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.693805 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.148
local terms energy: -61.436113
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -10.329
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: 440
Temperature: 1.300000
Total energy: -86.017836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.017836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.017836 (E_RNA)
where:
Base-Base interactions energy: -30.366
where: short stacking energy: -25.592
Base-Backbone interact. energy: -0.236
local terms energy: -55.415320
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -0.258
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: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -90.367825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.367825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.367825 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -28.421
Base-Backbone interact. energy: -0.591
local terms energy: -61.355460
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -266.237055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.237055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.237055 (E_RNA)
where:
Base-Base interactions energy: -175.214
where: short stacking energy: -68.137
Base-Backbone interact. energy: -1.545
local terms energy: -89.478161
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -259.563770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.563770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.563770 (E_RNA)
where:
Base-Base interactions energy: -172.969
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.997
local terms energy: -85.597182
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -20.808
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: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -224.791931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.791931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.791931 (E_RNA)
where:
Base-Base interactions energy: -146.260
where: short stacking energy: -72.542
Base-Backbone interact. energy: 1.108
local terms energy: -79.639954
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -212.124966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.124966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.124966 (E_RNA)
where:
Base-Base interactions energy: -126.637
where: short stacking energy: -57.147
Base-Backbone interact. energy: 0.841
local terms energy: -86.329206
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -16.895
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: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -209.400193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.400193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.400193 (E_RNA)
where:
Base-Base interactions energy: -128.866
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.248
local terms energy: -80.286273
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -8.059
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: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -194.038187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.038187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.038187 (E_RNA)
where:
Base-Base interactions energy: -121.692
where: short stacking energy: -51.203
Base-Backbone interact. energy: -0.138
local terms energy: -72.208241
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -196.767588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.767588 (E_RNA)
where:
Base-Base interactions energy: -119.555
where: short stacking energy: -56.837
Base-Backbone interact. energy: -0.468
local terms energy: -76.744638
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -103.312483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.312483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.312483 (E_RNA)
where:
Base-Base interactions energy: -41.657
where: short stacking energy: -41.305
Base-Backbone interact. energy: -0.385
local terms energy: -61.270793
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -89.337900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.337900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.337900 (E_RNA)
where:
Base-Base interactions energy: -52.492
where: short stacking energy: -24.812
Base-Backbone interact. energy: -0.256
local terms energy: -36.590010
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -5.394
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: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -83.399173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.399173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.399173 (E_RNA)
where:
Base-Base interactions energy: -30.637
where: short stacking energy: -30.637
Base-Backbone interact. energy: 5.273
local terms energy: -58.035173
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -6.906
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: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -268.949165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.949165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.949165 (E_RNA)
where:
Base-Base interactions energy: -175.847
where: short stacking energy: -74.661
Base-Backbone interact. energy: -0.808
local terms energy: -92.294540
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -256.441890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.441890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.441890 (E_RNA)
where:
Base-Base interactions energy: -168.016
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.512
local terms energy: -87.914521
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -19.602
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: 442
Temperature: 1.000000
Total energy: -204.847215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.847215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.847215 (E_RNA)
where:
Base-Base interactions energy: -122.871
where: short stacking energy: -64.796
Base-Backbone interact. energy: -0.125
local terms energy: -81.851851
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -225.406753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.406753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.406753 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.259
local terms energy: -82.442061
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -10.405
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: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -204.064120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.064120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.064120 (E_RNA)
where:
Base-Base interactions energy: -133.946
where: short stacking energy: -58.832
Base-Backbone interact. energy: -0.205
local terms energy: -69.913553
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -13.225
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: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -193.182978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.182978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.182978 (E_RNA)
where:
Base-Base interactions energy: -121.668
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.786
local terms energy: -70.729680
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -11.075
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: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -215.164678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.164678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.164678 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.520
local terms energy: -83.950982
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.577
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: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -97.550628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.550628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.550628 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -35.392
Base-Backbone interact. energy: -1.174
local terms energy: -53.488233
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -95.148398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.148398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.148398 (E_RNA)
where:
Base-Base interactions energy: -39.796
where: short stacking energy: -21.926
Base-Backbone interact. energy: 0.103
local terms energy: -55.456094
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -83.571213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571213 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -13.556
Base-Backbone interact. energy: -0.428
local terms energy: -49.749704
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: 6.856
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: 443
Temperature: 0.900000
Total energy: -268.083560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.083560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.083560 (E_RNA)
where:
Base-Base interactions energy: -183.606
where: short stacking energy: -75.605
Base-Backbone interact. energy: -0.872
local terms energy: -83.605730
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -260.327125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.327125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.327125 (E_RNA)
where:
Base-Base interactions energy: -176.404
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.870
local terms energy: -83.053660
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -219.971646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.971646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.971646 (E_RNA)
where:
Base-Base interactions energy: -135.842
where: short stacking energy: -70.142
Base-Backbone interact. energy: -0.640
local terms energy: -83.489161
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -209.665639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.665639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.665639 (E_RNA)
where:
Base-Base interactions energy: -124.895
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.068
local terms energy: -84.702037
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.843
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: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -202.968553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.968553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.968553 (E_RNA)
where:
Base-Base interactions energy: -125.204
where: short stacking energy: -57.955
Base-Backbone interact. energy: -0.142
local terms energy: -77.622764
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -194.907044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.907044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907044 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -60.272
Base-Backbone interact. energy: -0.780
local terms energy: -73.488398
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -8.044
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: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -190.679743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.679743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.679743 (E_RNA)
where:
Base-Base interactions energy: -115.596
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.100
local terms energy: -74.983736
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -97.341626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.341626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.341626 (E_RNA)
where:
Base-Base interactions energy: -45.392
where: short stacking energy: -32.320
Base-Backbone interact. energy: -0.169
local terms energy: -51.780589
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -89.053698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.053698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.053698 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -22.465
Base-Backbone interact. energy: -0.057
local terms energy: -47.618315
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: 1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -88.558885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.558885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.558885 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -35.107
Base-Backbone interact. energy: -0.175
local terms energy: -52.954720
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -277.353228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.353228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.353228 (E_RNA)
where:
Base-Base interactions energy: -185.722
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.159
local terms energy: -91.471584
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -271.100064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.100064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.100064 (E_RNA)
where:
Base-Base interactions energy: -188.778
where: short stacking energy: -73.084
Base-Backbone interact. energy: 0.050
local terms energy: -82.372110
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -224.121219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.121219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.121219 (E_RNA)
where:
Base-Base interactions energy: -144.413
where: short stacking energy: -72.111
Base-Backbone interact. energy: -1.161
local terms energy: -78.547801
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -20.735
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: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -208.123563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.123563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.123563 (E_RNA)
where:
Base-Base interactions energy: -126.252
where: short stacking energy: -65.556
Base-Backbone interact. energy: -0.132
local terms energy: -81.740092
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -189.339106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.339106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.339106 (E_RNA)
where:
Base-Base interactions energy: -118.573
where: short stacking energy: -53.826
Base-Backbone interact. energy: -0.226
local terms energy: -70.540080
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -194.115489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.115489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.115489 (E_RNA)
where:
Base-Base interactions energy: -121.239
where: short stacking energy: -50.509
Base-Backbone interact. energy: -0.080
local terms energy: -72.796541
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -194.635407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.635407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.635407 (E_RNA)
where:
Base-Base interactions energy: -115.755
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.210
local terms energy: -78.670056
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -102.623655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.623655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.623655 (E_RNA)
where:
Base-Base interactions energy: -40.736
where: short stacking energy: -40.596
Base-Backbone interact. energy: -0.087
local terms energy: -61.800560
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -102.055754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.055754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.055754 (E_RNA)
where:
Base-Base interactions energy: -48.614
where: short stacking energy: -32.366
Base-Backbone interact. energy: -1.366
local terms energy: -52.076022
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -104.112192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.112192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.112192 (E_RNA)
where:
Base-Base interactions energy: -51.827
where: short stacking energy: -31.843
Base-Backbone interact. energy: -0.136
local terms energy: -52.148390
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -269.559713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.559713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.559713 (E_RNA)
where:
Base-Base interactions energy: -187.689
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.638
local terms energy: -81.232955
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -267.484464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.484464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.484464 (E_RNA)
where:
Base-Base interactions energy: -189.214
where: short stacking energy: -76.040
Base-Backbone interact. energy: -0.452
local terms energy: -77.818236
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -19.141
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: 445
Temperature: 1.000000
Total energy: -215.623884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.623884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.623884 (E_RNA)
where:
Base-Base interactions energy: -135.872
where: short stacking energy: -59.519
Base-Backbone interact. energy: -0.122
local terms energy: -79.629722
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -14.869
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: 4, replica: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -213.385289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.385289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.385289 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -65.352
Base-Backbone interact. energy: 1.897
local terms energy: -77.558545
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -13.413
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: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -194.699067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.699067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.699067 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.486
local terms energy: -69.641282
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -214.571905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.571905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.571905 (E_RNA)
where:
Base-Base interactions energy: -127.812
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.011
local terms energy: -86.748602
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -198.564156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.564156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.564156 (E_RNA)
where:
Base-Base interactions energy: -125.521
where: short stacking energy: -58.393
Base-Backbone interact. energy: -0.473
local terms energy: -72.570055
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -98.868781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.868781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.868781 (E_RNA)
where:
Base-Base interactions energy: -49.117
where: short stacking energy: -29.268
Base-Backbone interact. energy: -0.566
local terms energy: -49.184886
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -101.032149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.032149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.032149 (E_RNA)
where:
Base-Base interactions energy: -37.266
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.713
local terms energy: -63.052947
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -93.422093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.422093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.422093 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -24.958
Base-Backbone interact. energy: -0.193
local terms energy: -59.351133
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -263.519977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.519977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.519977 (E_RNA)
where:
Base-Base interactions energy: -176.698
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.595
local terms energy: -86.226827
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -259.441242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.441242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.441242 (E_RNA)
where:
Base-Base interactions energy: -177.315
where: short stacking energy: -74.953
Base-Backbone interact. energy: -0.830
local terms energy: -81.296299
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -224.052902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052902 (E_RNA)
where:
Base-Base interactions energy: -142.929
where: short stacking energy: -72.888
Base-Backbone interact. energy: -0.018
local terms energy: -81.105933
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -205.599311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.599311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.599311 (E_RNA)
where:
Base-Base interactions energy: -130.662
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.002
local terms energy: -74.935119
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -13.490
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: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -205.258771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.258771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.258771 (E_RNA)
where:
Base-Base interactions energy: -125.701
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.039
local terms energy: -79.518668
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -191.258810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.258810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.258810 (E_RNA)
where:
Base-Base interactions energy: -119.388
where: short stacking energy: -61.546
Base-Backbone interact. energy: -2.568
local terms energy: -69.303193
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -189.587258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.587258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.587258 (E_RNA)
where:
Base-Base interactions energy: -128.324
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.792
local terms energy: -60.471866
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -15.628
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: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -87.932276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.932276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.932276 (E_RNA)
where:
Base-Base interactions energy: -28.226
where: short stacking energy: -28.226
Base-Backbone interact. energy: -0.259
local terms energy: -59.446968
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -109.117464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117464 (E_RNA)
where:
Base-Base interactions energy: -47.279
where: short stacking energy: -47.237
Base-Backbone interact. energy: -0.011
local terms energy: -61.827648
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -8.186
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: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -96.272625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.272625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.272625 (E_RNA)
where:
Base-Base interactions energy: -47.715
where: short stacking energy: -28.855
Base-Backbone interact. energy: 0.179
local terms energy: -48.736151
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -2.068
tors. eta vs tors. theta energy: 0.385
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: 447
Temperature: 0.900000
Total energy: -266.851208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.851208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.851208 (E_RNA)
where:
Base-Base interactions energy: -178.897
where: short stacking energy: -80.954
Base-Backbone interact. energy: -1.114
local terms energy: -86.839413
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -7.481
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: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -272.923269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.923269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.923269 (E_RNA)
where:
Base-Base interactions energy: -178.400
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.856
local terms energy: -93.667704
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -23.776
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: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -220.064697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.064697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.064697 (E_RNA)
where:
Base-Base interactions energy: -142.628
where: short stacking energy: -66.086
Base-Backbone interact. energy: -1.363
local terms energy: -76.073095
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -15.039
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: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -203.682530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.682530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.682530 (E_RNA)
where:
Base-Base interactions energy: -120.643
where: short stacking energy: -49.984
Base-Backbone interact. energy: 1.318
local terms energy: -84.357736
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -15.944
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: 447
Temperature: 1.100000
Total energy: -198.466881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.466881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.466881 (E_RNA)
where:
Base-Base interactions energy: -127.707
where: short stacking energy: -62.811
Base-Backbone interact. energy: -0.165
local terms energy: -70.595203
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -11.387
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -203.898505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.898505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.898505 (E_RNA)
where:
Base-Base interactions energy: -126.087
where: short stacking energy: -61.065
Base-Backbone interact. energy: 0.147
local terms energy: -77.958116
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -183.886025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.886025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.886025 (E_RNA)
where:
Base-Base interactions energy: -118.282
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.089
local terms energy: -65.514820
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -85.615040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.615040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.615040 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -29.193
Base-Backbone interact. energy: 1.762
local terms energy: -55.395070
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: 1.805
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: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -99.661061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.661061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.661061 (E_RNA)
where:
Base-Base interactions energy: -41.748
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.016
local terms energy: -57.897449
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -82.639275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.639275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.639275 (E_RNA)
where:
Base-Base interactions energy: -38.042
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.079
local terms energy: -44.517915
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: 2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -267.670833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.670833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.670833 (E_RNA)
where:
Base-Base interactions energy: -178.969
where: short stacking energy: -71.584
Base-Backbone interact. energy: -2.016
local terms energy: -86.686087
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -22.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -265.448670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.448670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.448670 (E_RNA)
where:
Base-Base interactions energy: -179.140
where: short stacking energy: -77.908
Base-Backbone interact. energy: 0.252
local terms energy: -86.560719
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -206.203474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.203474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.203474 (E_RNA)
where:
Base-Base interactions energy: -127.412
where: short stacking energy: -57.953
Base-Backbone interact. energy: 0.374
local terms energy: -79.165561
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -13.661
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: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -208.238820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.238820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.238820 (E_RNA)
where:
Base-Base interactions energy: -130.402
where: short stacking energy: -66.609
Base-Backbone interact. energy: 0.216
local terms energy: -78.053135
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -212.335278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.335278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.335278 (E_RNA)
where:
Base-Base interactions energy: -128.299
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.326
local terms energy: -83.710458
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -198.475058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.475058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.475058 (E_RNA)
where:
Base-Base interactions energy: -119.459
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.787
local terms energy: -78.229400
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -10.577
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: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -182.803101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.803101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.803101 (E_RNA)
where:
Base-Base interactions energy: -128.653
where: short stacking energy: -55.569
Base-Backbone interact. energy: -0.044
local terms energy: -54.106088
where:
bonds (distance) C4'-P energy: -7.158
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -2.665
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -93.945083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.945083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.945083 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -34.835
Base-Backbone interact. energy: -0.409
local terms energy: -54.190537
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -4.318
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: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -87.375148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.375148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.375148 (E_RNA)
where:
Base-Base interactions energy: -28.830
where: short stacking energy: -28.763
Base-Backbone interact. energy: -0.208
local terms energy: -58.337991
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -3.855
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: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -93.947855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.947855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.947855 (E_RNA)
where:
Base-Base interactions energy: -39.176
where: short stacking energy: -36.180
Base-Backbone interact. energy: -0.176
local terms energy: -54.596089
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -276.633573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.633573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.633573 (E_RNA)
where:
Base-Base interactions energy: -186.088
where: short stacking energy: -76.592
Base-Backbone interact. energy: -1.355
local terms energy: -89.189928
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -263.131588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.131588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.131588 (E_RNA)
where:
Base-Base interactions energy: -184.259
where: short stacking energy: -72.400
Base-Backbone interact. energy: -0.880
local terms energy: -77.992856
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -202.483003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.483003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.483003 (E_RNA)
where:
Base-Base interactions energy: -128.125
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.004
local terms energy: -74.354658
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -16.119
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: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -218.953634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.953634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.953634 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.609
local terms energy: -79.855973
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -13.163
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: 449
Temperature: 1.100000
Total energy: -196.747452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.747452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.747452 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -65.761
Base-Backbone interact. energy: -1.161
local terms energy: -67.093075
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -5.861
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: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -200.390065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.390065 (E_RNA)
where:
Base-Base interactions energy: -123.352
where: short stacking energy: -65.982
Base-Backbone interact. energy: -0.183
local terms energy: -76.855097
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -14.036
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: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -198.458951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.458951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.458951 (E_RNA)
where:
Base-Base interactions energy: -125.222
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.771
local terms energy: -72.466404
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -98.351232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.351232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.351232 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -35.516
Base-Backbone interact. energy: -0.164
local terms energy: -62.151334
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -12.168
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: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -84.260243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.260243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.260243 (E_RNA)
where:
Base-Base interactions energy: -23.455
where: short stacking energy: -22.330
Base-Backbone interact. energy: -1.142
local terms energy: -59.663351
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -86.736081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.736081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.736081 (E_RNA)
where:
Base-Base interactions energy: -27.010
where: short stacking energy: -27.010
Base-Backbone interact. energy: -0.037
local terms energy: -59.689204
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -264.136327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.136327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.136327 (E_RNA)
where:
Base-Base interactions energy: -178.175
where: short stacking energy: -76.501
Base-Backbone interact. energy: -0.581
local terms energy: -85.380488
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -24.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -264.568880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.568880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.568880 (E_RNA)
where:
Base-Base interactions energy: -184.960
where: short stacking energy: -71.604
Base-Backbone interact. energy: -1.169
local terms energy: -78.439992
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -216.535946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.535946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.535946 (E_RNA)
where:
Base-Base interactions energy: -134.948
where: short stacking energy: -67.248
Base-Backbone interact. energy: -1.003
local terms energy: -80.584978
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -16.999
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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -220.713914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.713914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.713914 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.001
local terms energy: -84.030386
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -23.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -203.498499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.498499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.498499 (E_RNA)
where:
Base-Base interactions energy: -128.563
where: short stacking energy: -63.477
Base-Backbone interact. energy: -0.184
local terms energy: -74.751492
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -205.140886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140886 (E_RNA)
where:
Base-Base interactions energy: -137.711
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.645
local terms energy: -66.785193
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -4.167
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -187.784328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.784328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.784328 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -47.132
Base-Backbone interact. energy: -0.194
local terms energy: -72.481064
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -91.513177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.513177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.513177 (E_RNA)
where:
Base-Base interactions energy: -40.099
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.166
local terms energy: -51.248126
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -6.467
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: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -92.778062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.778062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.778062 (E_RNA)
where:
Base-Base interactions energy: -26.815
where: short stacking energy: -26.815
Base-Backbone interact. energy: -0.421
local terms energy: -65.542204
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -91.960901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.960901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.960901 (E_RNA)
where:
Base-Base interactions energy: -34.134
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.063
local terms energy: -57.763629
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -264.296314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.296314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.296314 (E_RNA)
where:
Base-Base interactions energy: -179.668
where: short stacking energy: -67.090
Base-Backbone interact. energy: 0.877
local terms energy: -85.505318
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -259.208663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.208663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.208663 (E_RNA)
where:
Base-Base interactions energy: -178.949
where: short stacking energy: -74.429
Base-Backbone interact. energy: -0.571
local terms energy: -79.688503
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -18.116
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: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -209.192213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.192213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.192213 (E_RNA)
where:
Base-Base interactions energy: -133.666
where: short stacking energy: -57.313
Base-Backbone interact. energy: -0.976
local terms energy: -74.550049
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -231.536588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.536588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.536588 (E_RNA)
where:
Base-Base interactions energy: -154.805
where: short stacking energy: -76.191
Base-Backbone interact. energy: -0.493
local terms energy: -76.237957
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -19.775
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -212.776405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.776405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.776405 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.086
local terms energy: -87.527859
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -183.230144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.230144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.230144 (E_RNA)
where:
Base-Base interactions energy: -113.347
where: short stacking energy: -53.665
Base-Backbone interact. energy: 0.880
local terms energy: -70.762495
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -192.320519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.320519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.320519 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -58.336
Base-Backbone interact. energy: 0.222
local terms energy: -69.734847
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -94.389832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.389832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.389832 (E_RNA)
where:
Base-Base interactions energy: -33.753
where: short stacking energy: -33.753
Base-Backbone interact. energy: 0.110
local terms energy: -60.746555
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -93.382333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.382333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.382333 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -23.458
Base-Backbone interact. energy: 0.446
local terms energy: -60.509199
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -98.617386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.617386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.617386 (E_RNA)
where:
Base-Base interactions energy: -51.449
where: short stacking energy: -33.782
Base-Backbone interact. energy: -0.786
local terms energy: -46.382630
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -8.127
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: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -262.788010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.788010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.788010 (E_RNA)
where:
Base-Base interactions energy: -180.817
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.199
local terms energy: -81.771839
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -265.785886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.785886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.785886 (E_RNA)
where:
Base-Base interactions energy: -178.175
where: short stacking energy: -65.594
Base-Backbone interact. energy: -0.493
local terms energy: -87.117997
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -21.697
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: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -215.669895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.669895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.669895 (E_RNA)
where:
Base-Base interactions energy: -127.211
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.716
local terms energy: -87.743365
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -17.542
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: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -208.356454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.356454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.356454 (E_RNA)
where:
Base-Base interactions energy: -128.315
where: short stacking energy: -68.342
Base-Backbone interact. energy: -0.035
local terms energy: -80.005902
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -17.139
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: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -198.804832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.804832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.804832 (E_RNA)
where:
Base-Base interactions energy: -124.087
where: short stacking energy: -59.174
Base-Backbone interact. energy: -0.015
local terms energy: -74.703473
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -9.159
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: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -198.314403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.314403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.314403 (E_RNA)
where:
Base-Base interactions energy: -121.344
where: short stacking energy: -67.373
Base-Backbone interact. energy: -1.410
local terms energy: -75.561168
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -15.994
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: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -192.835665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.835665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.835665 (E_RNA)
where:
Base-Base interactions energy: -111.024
where: short stacking energy: -56.153
Base-Backbone interact. energy: 0.441
local terms energy: -82.252351
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -19.132
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: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -103.181045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.181045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.181045 (E_RNA)
where:
Base-Base interactions energy: -47.280
where: short stacking energy: -24.373
Base-Backbone interact. energy: -0.532
local terms energy: -55.368653
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -106.406494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.406494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.406494 (E_RNA)
where:
Base-Base interactions energy: -36.113
where: short stacking energy: -36.113
Base-Backbone interact. energy: -0.050
local terms energy: -70.244137
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -82.678627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.678627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.678627 (E_RNA)
where:
Base-Base interactions energy: -29.409
where: short stacking energy: -29.409
Base-Backbone interact. energy: -0.314
local terms energy: -52.955442
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: 0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -257.547938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.547938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.547938 (E_RNA)
where:
Base-Base interactions energy: -173.973
where: short stacking energy: -71.068
Base-Backbone interact. energy: -0.436
local terms energy: -83.138836
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -276.166080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.166080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.166080 (E_RNA)
where:
Base-Base interactions energy: -194.672
where: short stacking energy: -77.973
Base-Backbone interact. energy: -0.281
local terms energy: -81.212985
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -221.383669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.383669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.383669 (E_RNA)
where:
Base-Base interactions energy: -134.657
where: short stacking energy: -72.529
Base-Backbone interact. energy: -0.087
local terms energy: -86.639076
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -20.703
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: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -204.564966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.564966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.564966 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -60.506
Base-Backbone interact. energy: -0.325
local terms energy: -79.170872
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -15.348
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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -206.623602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.623602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.623602 (E_RNA)
where:
Base-Base interactions energy: -127.525
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.200
local terms energy: -78.898374
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -9.404
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: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -200.429079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.429079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.429079 (E_RNA)
where:
Base-Base interactions energy: -120.859
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.025
local terms energy: -79.544866
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -191.885332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.885332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.885332 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -57.207
Base-Backbone interact. energy: -0.236
local terms energy: -79.323985
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -14.008
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: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -104.615790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.615790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.615790 (E_RNA)
where:
Base-Base interactions energy: -49.078
where: short stacking energy: -37.151
Base-Backbone interact. energy: -0.375
local terms energy: -55.162253
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -86.531297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.531297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.531297 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -4.831
Base-Backbone interact. energy: -0.277
local terms energy: -59.941385
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: 5.940
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: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -81.691102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.691102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.691102 (E_RNA)
where:
Base-Base interactions energy: -29.725
where: short stacking energy: -17.534
Base-Backbone interact. energy: -0.470
local terms energy: -51.496299
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -276.755084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.755084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.755084 (E_RNA)
where:
Base-Base interactions energy: -192.509
where: short stacking energy: -77.323
Base-Backbone interact. energy: -0.450
local terms energy: -83.796233
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -263.698970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.698970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.698970 (E_RNA)
where:
Base-Base interactions energy: -178.597
where: short stacking energy: -70.606
Base-Backbone interact. energy: -0.415
local terms energy: -84.687355
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -212.341104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.341104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.341104 (E_RNA)
where:
Base-Base interactions energy: -131.897
where: short stacking energy: -69.206
Base-Backbone interact. energy: -0.100
local terms energy: -80.344190
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -208.420157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.420157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.420157 (E_RNA)
where:
Base-Base interactions energy: -129.860
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.166
local terms energy: -78.394270
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -16.712
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: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -202.708175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.708175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.708175 (E_RNA)
where:
Base-Base interactions energy: -132.212
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.140
local terms energy: -70.355975
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -207.654336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.654336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.654336 (E_RNA)
where:
Base-Base interactions energy: -133.257
where: short stacking energy: -63.563
Base-Backbone interact. energy: 0.073
local terms energy: -74.470256
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.096
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: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -182.589555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.589555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.589555 (E_RNA)
where:
Base-Base interactions energy: -118.555
where: short stacking energy: -56.430
Base-Backbone interact. energy: -0.270
local terms energy: -63.764878
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -111.447555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.447555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.447555 (E_RNA)
where:
Base-Base interactions energy: -56.314
where: short stacking energy: -36.037
Base-Backbone interact. energy: -0.876
local terms energy: -54.257225
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -90.337418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.337418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.337418 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -29.377
Base-Backbone interact. energy: -0.231
local terms energy: -60.591462
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.856
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: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -95.597253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.597253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.597253 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -33.317
Base-Backbone interact. energy: -0.006
local terms energy: -62.273775
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -6.362
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: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -266.714138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.714138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.714138 (E_RNA)
where:
Base-Base interactions energy: -183.981
where: short stacking energy: -68.983
Base-Backbone interact. energy: -0.449
local terms energy: -82.283625
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.195
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: 455
Temperature: 0.950000
Total energy: -257.663920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.663920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.663920 (E_RNA)
where:
Base-Base interactions energy: -176.349
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.455
local terms energy: -80.860490
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -17.718
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: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -207.604750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.604750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.604750 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -61.781
Base-Backbone interact. energy: 0.909
local terms energy: -79.953058
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -16.410
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: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -210.257754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.257754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.257754 (E_RNA)
where:
Base-Base interactions energy: -129.313
where: short stacking energy: -60.502
Base-Backbone interact. energy: -0.234
local terms energy: -80.710773
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -17.340
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: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -202.632395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.632395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.632395 (E_RNA)
where:
Base-Base interactions energy: -138.397
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.604
local terms energy: -63.632237
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -187.916037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.916037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.916037 (E_RNA)
where:
Base-Base interactions energy: -116.588
where: short stacking energy: -64.067
Base-Backbone interact. energy: -0.108
local terms energy: -71.219587
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -19.977
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: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -189.046267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.046267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.046267 (E_RNA)
where:
Base-Base interactions energy: -117.022
where: short stacking energy: -53.658
Base-Backbone interact. energy: -0.324
local terms energy: -71.699876
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -13.361
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: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -97.558794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.558794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.558794 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.153
local terms energy: -60.297699
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -105.674637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.674637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.674637 (E_RNA)
where:
Base-Base interactions energy: -44.934
where: short stacking energy: -36.350
Base-Backbone interact. energy: -0.057
local terms energy: -60.683516
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -90.696403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.696403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.696403 (E_RNA)
where:
Base-Base interactions energy: -39.288
where: short stacking energy: -25.699
Base-Backbone interact. energy: -0.122
local terms energy: -51.286719
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -4.535
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: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -260.587676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.587676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.587676 (E_RNA)
where:
Base-Base interactions energy: -171.728
where: short stacking energy: -67.873
Base-Backbone interact. energy: -0.355
local terms energy: -88.504713
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -265.529146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.529146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.529146 (E_RNA)
where:
Base-Base interactions energy: -180.852
where: short stacking energy: -73.384
Base-Backbone interact. energy: -0.494
local terms energy: -84.182883
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -208.307666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.307666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.307666 (E_RNA)
where:
Base-Base interactions energy: -122.198
where: short stacking energy: -58.029
Base-Backbone interact. energy: -0.498
local terms energy: -85.611698
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -20.666
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: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -226.428065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.428065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.428065 (E_RNA)
where:
Base-Base interactions energy: -145.871
where: short stacking energy: -79.327
Base-Backbone interact. energy: -0.134
local terms energy: -80.422670
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -19.771
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: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -204.994823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.994823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.994823 (E_RNA)
where:
Base-Base interactions energy: -124.834
where: short stacking energy: -57.896
Base-Backbone interact. energy: -0.217
local terms energy: -79.943837
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -15.215
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: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -185.739402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.739402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.739402 (E_RNA)
where:
Base-Base interactions energy: -114.436
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.504
local terms energy: -70.799068
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -188.827039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.827039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.827039 (E_RNA)
where:
Base-Base interactions energy: -118.601
where: short stacking energy: -54.077
Base-Backbone interact. energy: 0.700
local terms energy: -70.925864
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -100.542527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.542527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.542527 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.135
local terms energy: -60.745730
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -3.217
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: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -90.371164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.371164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.371164 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.088
local terms energy: -54.548414
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -84.133615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.133615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.133615 (E_RNA)
where:
Base-Base interactions energy: -31.917
where: short stacking energy: -24.602
Base-Backbone interact. energy: -0.396
local terms energy: -51.821095
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: 1.400
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: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -265.099142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.099142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.099142 (E_RNA)
where:
Base-Base interactions energy: -178.249
where: short stacking energy: -78.364
Base-Backbone interact. energy: -0.362
local terms energy: -86.488255
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -259.554217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.554217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.554217 (E_RNA)
where:
Base-Base interactions energy: -172.754
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.473
local terms energy: -86.326795
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -223.087592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.087592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.087592 (E_RNA)
where:
Base-Base interactions energy: -133.487
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.079
local terms energy: -89.521522
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -21.534
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: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -211.950207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.950207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.950207 (E_RNA)
where:
Base-Base interactions energy: -128.759
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.396
local terms energy: -82.795322
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -200.298052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.298052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.298052 (E_RNA)
where:
Base-Base interactions energy: -121.332
where: short stacking energy: -55.507
Base-Backbone interact. energy: -0.659
local terms energy: -78.307216
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -20.367
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: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -195.603908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.603908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.603908 (E_RNA)
where:
Base-Base interactions energy: -120.852
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.991
local terms energy: -73.761804
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -191.737220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.737220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.737220 (E_RNA)
where:
Base-Base interactions energy: -123.878
where: short stacking energy: -56.800
Base-Backbone interact. energy: 1.175
local terms energy: -69.034511
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -105.893672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.893672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.893672 (E_RNA)
where:
Base-Base interactions energy: -50.359
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.149
local terms energy: -55.385547
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -6.142
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -87.368784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.368784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.368784 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -29.680
Base-Backbone interact. energy: -2.115
local terms energy: -52.219117
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -10.324
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: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -91.975516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.975516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.975516 (E_RNA)
where:
Base-Base interactions energy: -28.541
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.070
local terms energy: -63.364628
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -13.880
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: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -263.735776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.735776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.735776 (E_RNA)
where:
Base-Base interactions energy: -181.473
where: short stacking energy: -78.466
Base-Backbone interact. energy: -0.637
local terms energy: -81.626489
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -250.073469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.073469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.073469 (E_RNA)
where:
Base-Base interactions energy: -170.367
where: short stacking energy: -69.066
Base-Backbone interact. energy: 0.532
local terms energy: -80.238845
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -15.126
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: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -206.982476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.982476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.982476 (E_RNA)
where:
Base-Base interactions energy: -125.271
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.836
local terms energy: -80.876079
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -211.519224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.519224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.519224 (E_RNA)
where:
Base-Base interactions energy: -133.001
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.266
local terms energy: -78.252377
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -202.563522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.563522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.563522 (E_RNA)
where:
Base-Base interactions energy: -117.668
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.219
local terms energy: -84.676603
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -194.987337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.987337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.987337 (E_RNA)
where:
Base-Base interactions energy: -118.269
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.319
local terms energy: -76.399395
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -186.641542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.641542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.641542 (E_RNA)
where:
Base-Base interactions energy: -112.478
where: short stacking energy: -48.920
Base-Backbone interact. energy: 0.315
local terms energy: -74.479125
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -13.196
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: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -92.971033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.971033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.971033 (E_RNA)
where:
Base-Base interactions energy: -25.190
where: short stacking energy: -22.050
Base-Backbone interact. energy: -0.174
local terms energy: -67.607188
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -14.078
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: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -96.387409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.387409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.387409 (E_RNA)
where:
Base-Base interactions energy: -50.343
where: short stacking energy: -29.495
Base-Backbone interact. energy: 0.492
local terms energy: -46.536776
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -2.444
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -82.783529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.783529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.783529 (E_RNA)
where:
Base-Base interactions energy: -34.754
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.762
local terms energy: -47.267500
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -0.585
tors. eta vs tors. theta energy: -5.472
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: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -266.113938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.113938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.113938 (E_RNA)
where:
Base-Base interactions energy: -177.230
where: short stacking energy: -68.564
Base-Backbone interact. energy: 0.035
local terms energy: -88.918836
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -260.065070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.065070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.065070 (E_RNA)
where:
Base-Base interactions energy: -182.526
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.656
local terms energy: -76.883166
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -15.673
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: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -224.399231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.399231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.399231 (E_RNA)
where:
Base-Base interactions energy: -148.091
where: short stacking energy: -72.519
Base-Backbone interact. energy: -0.203
local terms energy: -76.105357
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -212.881276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.881276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.881276 (E_RNA)
where:
Base-Base interactions energy: -126.977
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.091
local terms energy: -85.813609
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -18.592
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: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -204.687437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.687437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.687437 (E_RNA)
where:
Base-Base interactions energy: -122.091
where: short stacking energy: -59.764
Base-Backbone interact. energy: 0.183
local terms energy: -82.779806
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -20.171
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: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -196.402191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.402191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.402191 (E_RNA)
where:
Base-Base interactions energy: -121.469
where: short stacking energy: -50.023
Base-Backbone interact. energy: 0.114
local terms energy: -75.047314
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -189.736546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.736546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.736546 (E_RNA)
where:
Base-Base interactions energy: -119.952
where: short stacking energy: -52.206
Base-Backbone interact. energy: -0.467
local terms energy: -69.317890
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -14.288
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -91.086492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.086492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.086492 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -26.571
Base-Backbone interact. energy: -0.218
local terms energy: -50.761879
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -4.592
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: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -83.805114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.805114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.805114 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -25.571
Base-Backbone interact. energy: -0.145
local terms energy: -54.544433
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -4.406
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: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -86.810014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.810014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.810014 (E_RNA)
where:
Base-Base interactions energy: -30.802
where: short stacking energy: -26.855
Base-Backbone interact. energy: 1.265
local terms energy: -57.272634
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -272.127610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.127610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.127610 (E_RNA)
where:
Base-Base interactions energy: -186.177
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.565
local terms energy: -85.385402
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -268.182221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.182221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.182221 (E_RNA)
where:
Base-Base interactions energy: -176.035
where: short stacking energy: -63.716
Base-Backbone interact. energy: -0.514
local terms energy: -91.633210
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -18.965
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: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -216.354562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354562 (E_RNA)
where:
Base-Base interactions energy: -138.759
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.052
local terms energy: -77.543661
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -7.754
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: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -208.272160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.272160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.272160 (E_RNA)
where:
Base-Base interactions energy: -132.566
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.226
local terms energy: -75.480024
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.518
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: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -209.178113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.178113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.178113 (E_RNA)
where:
Base-Base interactions energy: -135.503
where: short stacking energy: -64.428
Base-Backbone interact. energy: -0.098
local terms energy: -73.576962
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -194.265299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.265299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.265299 (E_RNA)
where:
Base-Base interactions energy: -123.724
where: short stacking energy: -60.885
Base-Backbone interact. energy: 0.618
local terms energy: -71.159818
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: 0.752
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: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -196.247785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.247785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.247785 (E_RNA)
where:
Base-Base interactions energy: -119.327
where: short stacking energy: -62.723
Base-Backbone interact. energy: -1.380
local terms energy: -75.540820
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -117.036372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.036372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.036372 (E_RNA)
where:
Base-Base interactions energy: -48.334
where: short stacking energy: -32.771
Base-Backbone interact. energy: -2.192
local terms energy: -66.510196
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -85.893609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.893609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.893609 (E_RNA)
where:
Base-Base interactions energy: -29.952
where: short stacking energy: -26.235
Base-Backbone interact. energy: -0.291
local terms energy: -55.650204
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -91.922081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.922081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.922081 (E_RNA)
where:
Base-Base interactions energy: -32.518
where: short stacking energy: -27.555
Base-Backbone interact. energy: 0.112
local terms energy: -59.515472
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -267.463070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.463070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.463070 (E_RNA)
where:
Base-Base interactions energy: -185.028
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.368
local terms energy: -82.066900
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -18.033
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: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -272.022317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.022317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.022317 (E_RNA)
where:
Base-Base interactions energy: -183.706
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.861
local terms energy: -87.454932
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -221.653844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.653844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.653844 (E_RNA)
where:
Base-Base interactions energy: -137.377
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.007
local terms energy: -84.270788
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -13.675
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: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -203.397891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.397891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.397891 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.158
local terms energy: -76.124826
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -13.238
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: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -201.067006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.067006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.067006 (E_RNA)
where:
Base-Base interactions energy: -126.058
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.095
local terms energy: -74.913973
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -197.364630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.364630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.364630 (E_RNA)
where:
Base-Base interactions energy: -126.191
where: short stacking energy: -62.050
Base-Backbone interact. energy: -0.023
local terms energy: -71.150101
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -198.814758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.814758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.814758 (E_RNA)
where:
Base-Base interactions energy: -133.323
where: short stacking energy: -52.921
Base-Backbone interact. energy: 0.376
local terms energy: -65.867879
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -97.146978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.146978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.146978 (E_RNA)
where:
Base-Base interactions energy: -36.583
where: short stacking energy: -36.583
Base-Backbone interact. energy: -0.133
local terms energy: -60.430662
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -90.485071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.485071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.485071 (E_RNA)
where:
Base-Base interactions energy: -43.290
where: short stacking energy: -22.680
Base-Backbone interact. energy: 1.125
local terms energy: -48.319728
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -2.358
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: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -90.297215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.297215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.297215 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -35.829
Base-Backbone interact. energy: 0.422
local terms energy: -54.890409
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -1.864
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: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -268.952882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.952882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.952882 (E_RNA)
where:
Base-Base interactions energy: -183.529
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.735
local terms energy: -84.689482
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -271.337012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.337012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.337012 (E_RNA)
where:
Base-Base interactions energy: -184.940
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.438
local terms energy: -85.958925
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -216.260413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.260413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.260413 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -69.467
Base-Backbone interact. energy: -0.063
local terms energy: -85.861704
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -210.100560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.100560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.100560 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.352
local terms energy: -77.940113
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -201.913976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.913976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.913976 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -72.062
Base-Backbone interact. energy: -0.645
local terms energy: -70.391730
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -5.953
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: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -185.307626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.307626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.307626 (E_RNA)
where:
Base-Base interactions energy: -104.984
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.824
local terms energy: -79.499847
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -195.230771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.230771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.230771 (E_RNA)
where:
Base-Base interactions energy: -123.987
where: short stacking energy: -59.879
Base-Backbone interact. energy: -0.028
local terms energy: -71.215669
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -5.441
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: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -129.181923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.181923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.181923 (E_RNA)
where:
Base-Base interactions energy: -68.867
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.036
local terms energy: -60.279054
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -89.914625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.914625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.914625 (E_RNA)
where:
Base-Base interactions energy: -44.615
where: short stacking energy: -28.921
Base-Backbone interact. energy: 0.326
local terms energy: -45.626077
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -84.605335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.605335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.605335 (E_RNA)
where:
Base-Base interactions energy: -29.565
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.524
local terms energy: -54.515921
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -7.784
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: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -271.191353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.191353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.191353 (E_RNA)
where:
Base-Base interactions energy: -188.332
where: short stacking energy: -69.710
Base-Backbone interact. energy: 0.177
local terms energy: -83.036626
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -263.382079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.382079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.382079 (E_RNA)
where:
Base-Base interactions energy: -181.589
where: short stacking energy: -71.002
Base-Backbone interact. energy: -0.981
local terms energy: -80.813014
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -209.086208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.086208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.086208 (E_RNA)
where:
Base-Base interactions energy: -123.526
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.007
local terms energy: -85.553057
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -17.188
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: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -202.243386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.243386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.243386 (E_RNA)
where:
Base-Base interactions energy: -124.265
where: short stacking energy: -64.224
Base-Backbone interact. energy: -0.905
local terms energy: -77.073424
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -17.474
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: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -197.735070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.735070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.735070 (E_RNA)
where:
Base-Base interactions energy: -120.546
where: short stacking energy: -57.300
Base-Backbone interact. energy: -0.049
local terms energy: -77.140727
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -11.454
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: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -199.066520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.066520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.066520 (E_RNA)
where:
Base-Base interactions energy: -124.236
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.200
local terms energy: -74.630353
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -9.365
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: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -187.655266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.655266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.655266 (E_RNA)
where:
Base-Base interactions energy: -110.025
where: short stacking energy: -39.707
Base-Backbone interact. energy: -0.553
local terms energy: -77.077924
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -13.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -147.818324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.818324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.818324 (E_RNA)
where:
Base-Base interactions energy: -81.160
where: short stacking energy: -53.801
Base-Backbone interact. energy: 0.886
local terms energy: -67.543844
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -11.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -105.294321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.294321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.294321 (E_RNA)
where:
Base-Base interactions energy: -47.473
where: short stacking energy: -24.616
Base-Backbone interact. energy: -0.304
local terms energy: -57.516799
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -14.430
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: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -83.503834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.503834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.503834 (E_RNA)
where:
Base-Base interactions energy: -27.305
where: short stacking energy: -27.458
Base-Backbone interact. energy: -1.261
local terms energy: -54.937173
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -7.706
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -272.450706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.450706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.450706 (E_RNA)
where:
Base-Base interactions energy: -185.658
where: short stacking energy: -79.958
Base-Backbone interact. energy: -1.488
local terms energy: -85.304725
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -23.681
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: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -261.993282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.993282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.993282 (E_RNA)
where:
Base-Base interactions energy: -181.053
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.401
local terms energy: -80.539785
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -21.219
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: 464
Temperature: 1.000000
Total energy: -221.513869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.513869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.513869 (E_RNA)
where:
Base-Base interactions energy: -138.620
where: short stacking energy: -66.509
Base-Backbone interact. energy: -0.599
local terms energy: -82.294289
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -220.534856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.534856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.534856 (E_RNA)
where:
Base-Base interactions energy: -148.634
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.173
local terms energy: -71.728345
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -197.565269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.565269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.565269 (E_RNA)
where:
Base-Base interactions energy: -124.384
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.318
local terms energy: -72.863049
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.822
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: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -193.616683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.616683 (E_RNA)
where:
Base-Base interactions energy: -121.241
where: short stacking energy: -54.872
Base-Backbone interact. energy: -0.506
local terms energy: -71.869709
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -13.538
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: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -190.976822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.976822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.976822 (E_RNA)
where:
Base-Base interactions energy: -120.059
where: short stacking energy: -52.932
Base-Backbone interact. energy: -0.407
local terms energy: -70.511122
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -175.161167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.161167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161167 (E_RNA)
where:
Base-Base interactions energy: -107.347
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.146
local terms energy: -67.668299
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.193
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: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -98.920899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.920899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.920899 (E_RNA)
where:
Base-Base interactions energy: -41.963
where: short stacking energy: -31.672
Base-Backbone interact. energy: -0.119
local terms energy: -56.838866
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -7.635
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: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -87.196713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.196713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.196713 (E_RNA)
where:
Base-Base interactions energy: -36.803
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.575
local terms energy: -49.819463
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -269.160192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.160192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.160192 (E_RNA)
where:
Base-Base interactions energy: -187.943
where: short stacking energy: -73.099
Base-Backbone interact. energy: -0.418
local terms energy: -80.799448
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -267.634196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.634196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.634196 (E_RNA)
where:
Base-Base interactions energy: -184.883
where: short stacking energy: -75.301
Base-Backbone interact. energy: -0.498
local terms energy: -82.253261
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -17.897
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: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -216.812125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.812125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.812125 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -64.093
Base-Backbone interact. energy: -0.186
local terms energy: -77.498144
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -5.144
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: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -200.936346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.936346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.936346 (E_RNA)
where:
Base-Base interactions energy: -121.020
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.713
local terms energy: -79.203174
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -202.748148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.748148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.748148 (E_RNA)
where:
Base-Base interactions energy: -125.390
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.013
local terms energy: -77.345168
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -188.396206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.396206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.396206 (E_RNA)
where:
Base-Base interactions energy: -125.892
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.319
local terms energy: -62.185494
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -193.172500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.172500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.172500 (E_RNA)
where:
Base-Base interactions energy: -118.975
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.178
local terms energy: -74.019111
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -160.423169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.423169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.423169 (E_RNA)
where:
Base-Base interactions energy: -107.059
where: short stacking energy: -51.106
Base-Backbone interact. energy: -0.474
local terms energy: -52.890379
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -5.976
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: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -88.439595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.439595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.439595 (E_RNA)
where:
Base-Base interactions energy: -45.149
where: short stacking energy: -33.097
Base-Backbone interact. energy: -0.275
local terms energy: -43.015222
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -9.041
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: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -81.739193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.739193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.739193 (E_RNA)
where:
Base-Base interactions energy: -21.992
where: short stacking energy: -17.730
Base-Backbone interact. energy: -0.296
local terms energy: -59.451661
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -2.965
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: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -266.618086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.618086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.618086 (E_RNA)
where:
Base-Base interactions energy: -181.485
where: short stacking energy: -73.361
Base-Backbone interact. energy: -0.502
local terms energy: -84.630768
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -260.952299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.952299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.952299 (E_RNA)
where:
Base-Base interactions energy: -164.572
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.657
local terms energy: -95.722888
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -215.147831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147831 (E_RNA)
where:
Base-Base interactions energy: -126.822
where: short stacking energy: -68.252
Base-Backbone interact. energy: -0.105
local terms energy: -88.220984
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -214.146420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.146420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.146420 (E_RNA)
where:
Base-Base interactions energy: -133.879
where: short stacking energy: -64.868
Base-Backbone interact. energy: -0.795
local terms energy: -79.473028
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -215.842466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.842466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.842466 (E_RNA)
where:
Base-Base interactions energy: -131.699
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.054
local terms energy: -84.089749
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -195.700614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.700614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.700614 (E_RNA)
where:
Base-Base interactions energy: -122.593
where: short stacking energy: -56.631
Base-Backbone interact. energy: -0.165
local terms energy: -72.942087
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -182.037738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.037738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.037738 (E_RNA)
where:
Base-Base interactions energy: -111.812
where: short stacking energy: -48.771
Base-Backbone interact. energy: -1.480
local terms energy: -68.745475
where:
bonds (distance) C4'-P energy: -7.584
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.273
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: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -166.334482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.334482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.334482 (E_RNA)
where:
Base-Base interactions energy: -101.450
where: short stacking energy: -46.407
Base-Backbone interact. energy: -0.764
local terms energy: -64.120399
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.567
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: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -91.829104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.829104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.829104 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.272
local terms energy: -57.512747
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -88.999493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.999493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.999493 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -31.217
Base-Backbone interact. energy: 0.040
local terms energy: -47.818114
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -1.114
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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -261.891111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.891111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.891111 (E_RNA)
where:
Base-Base interactions energy: -185.571
where: short stacking energy: -79.311
Base-Backbone interact. energy: -0.751
local terms energy: -75.569012
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -16.415
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: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -262.117919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.117919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.117919 (E_RNA)
where:
Base-Base interactions energy: -174.386
where: short stacking energy: -78.196
Base-Backbone interact. energy: 0.461
local terms energy: -88.193683
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -220.628618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.628618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.628618 (E_RNA)
where:
Base-Base interactions energy: -141.153
where: short stacking energy: -69.733
Base-Backbone interact. energy: -0.101
local terms energy: -79.374333
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -7.611
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: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -206.969857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.969857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.969857 (E_RNA)
where:
Base-Base interactions energy: -128.994
where: short stacking energy: -62.261
Base-Backbone interact. energy: 2.101
local terms energy: -80.077204
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -5.742
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: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -197.620930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.620930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.620930 (E_RNA)
where:
Base-Base interactions energy: -126.492
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.175
local terms energy: -70.953809
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -14.205
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: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -186.626731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.626731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.626731 (E_RNA)
where:
Base-Base interactions energy: -111.335
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.682
local terms energy: -74.609825
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -192.940374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.940374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.940374 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.752
local terms energy: -65.321337
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -167.233009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.233009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.233009 (E_RNA)
where:
Base-Base interactions energy: -108.581
where: short stacking energy: -48.092
Base-Backbone interact. energy: -0.446
local terms energy: -58.205950
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -95.254191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.254191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.254191 (E_RNA)
where:
Base-Base interactions energy: -38.995
where: short stacking energy: -22.013
Base-Backbone interact. energy: 1.250
local terms energy: -57.508380
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -77.851229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.851229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.851229 (E_RNA)
where:
Base-Base interactions energy: -25.025
where: short stacking energy: -20.544
Base-Backbone interact. energy: -0.263
local terms energy: -52.564061
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: 3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -273.064099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.064099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.064099 (E_RNA)
where:
Base-Base interactions energy: -183.139
where: short stacking energy: -75.866
Base-Backbone interact. energy: -0.451
local terms energy: -89.474279
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -258.484415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.484415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.484415 (E_RNA)
where:
Base-Base interactions energy: -174.215
where: short stacking energy: -65.691
Base-Backbone interact. energy: -1.137
local terms energy: -83.132662
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -19.149
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: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -214.413145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.413145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.413145 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.118
local terms energy: -76.379751
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -10.483
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: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -212.609836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.609836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.609836 (E_RNA)
where:
Base-Base interactions energy: -127.546
where: short stacking energy: -55.270
Base-Backbone interact. energy: -0.050
local terms energy: -85.013124
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -212.297015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.297015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.297015 (E_RNA)
where:
Base-Base interactions energy: -133.189
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.049
local terms energy: -79.059009
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.347
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: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -185.918019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.918019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.918019 (E_RNA)
where:
Base-Base interactions energy: -114.519
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.010
local terms energy: -71.388271
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -188.709644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.709644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.709644 (E_RNA)
where:
Base-Base interactions energy: -117.709
where: short stacking energy: -52.742
Base-Backbone interact. energy: -0.081
local terms energy: -70.919231
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -179.060642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.060642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.060642 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -51.236
Base-Backbone interact. energy: 0.474
local terms energy: -71.722982
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -103.658105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.658105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.658105 (E_RNA)
where:
Base-Base interactions energy: -47.335
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.253
local terms energy: -56.070118
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -4.323
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: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -84.158493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.158493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.158493 (E_RNA)
where:
Base-Base interactions energy: -29.084
where: short stacking energy: -20.306
Base-Backbone interact. energy: -0.137
local terms energy: -54.937048
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: 0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -269.024631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.024631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.024631 (E_RNA)
where:
Base-Base interactions energy: -181.285
where: short stacking energy: -75.390
Base-Backbone interact. energy: -0.190
local terms energy: -87.549180
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.987
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: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -266.891619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.891619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.891619 (E_RNA)
where:
Base-Base interactions energy: -191.855
where: short stacking energy: -76.767
Base-Backbone interact. energy: -0.434
local terms energy: -74.603542
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -216.043542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.043542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.043542 (E_RNA)
where:
Base-Base interactions energy: -144.969
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.428
local terms energy: -70.646283
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -15.215
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: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -211.375763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.375763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.375763 (E_RNA)
where:
Base-Base interactions energy: -127.546
where: short stacking energy: -65.209
Base-Backbone interact. energy: -0.014
local terms energy: -83.815686
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -206.840070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.840070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.840070 (E_RNA)
where:
Base-Base interactions energy: -130.901
where: short stacking energy: -60.565
Base-Backbone interact. energy: -0.209
local terms energy: -75.729651
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -16.066
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: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -196.175983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.175983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.175983 (E_RNA)
where:
Base-Base interactions energy: -122.745
where: short stacking energy: -51.972
Base-Backbone interact. energy: -1.029
local terms energy: -72.401904
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -10.983
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: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -191.837561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.837561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.837561 (E_RNA)
where:
Base-Base interactions energy: -127.131
where: short stacking energy: -60.903
Base-Backbone interact. energy: -0.009
local terms energy: -64.697223
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -167.679047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.679047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.679047 (E_RNA)
where:
Base-Base interactions energy: -103.990
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.171
local terms energy: -63.517785
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -9.758
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: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -83.998375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.998375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.998375 (E_RNA)
where:
Base-Base interactions energy: -21.478
where: short stacking energy: -18.410
Base-Backbone interact. energy: -0.127
local terms energy: -62.394213
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: 2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -84.178040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178040 (E_RNA)
where:
Base-Base interactions energy: -28.243
where: short stacking energy: -27.436
Base-Backbone interact. energy: -0.163
local terms energy: -55.771848
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -258.433027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.433027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.433027 (E_RNA)
where:
Base-Base interactions energy: -177.374
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.175
local terms energy: -80.883905
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -271.872636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.872636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.872636 (E_RNA)
where:
Base-Base interactions energy: -183.705
where: short stacking energy: -71.033
Base-Backbone interact. energy: 1.027
local terms energy: -89.194663
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -14.758
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: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -227.690476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.690476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.690476 (E_RNA)
where:
Base-Base interactions energy: -152.208
where: short stacking energy: -70.303
Base-Backbone interact. energy: -1.158
local terms energy: -74.324363
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -12.340
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: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -218.584827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.584827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.584827 (E_RNA)
where:
Base-Base interactions energy: -132.333
where: short stacking energy: -68.264
Base-Backbone interact. energy: -0.499
local terms energy: -85.752951
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -202.852114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.852114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.852114 (E_RNA)
where:
Base-Base interactions energy: -122.567
where: short stacking energy: -65.634
Base-Backbone interact. energy: 0.315
local terms energy: -80.600275
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -200.652295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.652295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.652295 (E_RNA)
where:
Base-Base interactions energy: -119.513
where: short stacking energy: -58.576
Base-Backbone interact. energy: -1.011
local terms energy: -80.128299
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -12.554
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: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -184.368690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.368690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.368690 (E_RNA)
where:
Base-Base interactions energy: -114.094
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.430
local terms energy: -69.844783
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -183.533378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.533378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.533378 (E_RNA)
where:
Base-Base interactions energy: -117.406
where: short stacking energy: -46.133
Base-Backbone interact. energy: -0.333
local terms energy: -65.793648
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -8.352
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: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -99.056128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.056128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.056128 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.339
local terms energy: -59.867973
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -4.738
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: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -83.449448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.449448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.449448 (E_RNA)
where:
Base-Base interactions energy: -32.719
where: short stacking energy: -26.883
Base-Backbone interact. energy: -0.235
local terms energy: -50.495406
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -7.235
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: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -262.987537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.987537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.987537 (E_RNA)
where:
Base-Base interactions energy: -171.776
where: short stacking energy: -72.979
Base-Backbone interact. energy: -0.768
local terms energy: -90.443126
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -262.212941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.212941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.212941 (E_RNA)
where:
Base-Base interactions energy: -176.175
where: short stacking energy: -72.378
Base-Backbone interact. energy: -0.537
local terms energy: -85.500579
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -20.796
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: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -232.983361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.983361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.983361 (E_RNA)
where:
Base-Base interactions energy: -148.190
where: short stacking energy: -68.285
Base-Backbone interact. energy: -0.129
local terms energy: -84.664936
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -21.886
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: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -218.384980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.384980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.384980 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -60.000
Base-Backbone interact. energy: 0.096
local terms energy: -90.763284
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -207.496241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.496241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.496241 (E_RNA)
where:
Base-Base interactions energy: -128.461
where: short stacking energy: -53.942
Base-Backbone interact. energy: -0.806
local terms energy: -78.229446
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -18.824
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: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -201.433890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.433890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.433890 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -65.728
Base-Backbone interact. energy: -0.010
local terms energy: -72.942388
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -163.815692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.815692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.815692 (E_RNA)
where:
Base-Base interactions energy: -102.678
where: short stacking energy: -55.363
Base-Backbone interact. energy: -0.772
local terms energy: -60.365474
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -12.254
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: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -186.589198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.589198 (E_RNA)
where:
Base-Base interactions energy: -116.613
where: short stacking energy: -55.327
Base-Backbone interact. energy: 0.066
local terms energy: -70.041517
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -87.396117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.396117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.396117 (E_RNA)
where:
Base-Base interactions energy: -24.757
where: short stacking energy: -24.232
Base-Backbone interact. energy: -0.652
local terms energy: -61.987358
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: 4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -93.552701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.552701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.552701 (E_RNA)
where:
Base-Base interactions energy: -40.482
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.037
local terms energy: -53.033475
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -260.964364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.964364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.964364 (E_RNA)
where:
Base-Base interactions energy: -184.710
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.597
local terms energy: -75.657781
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -273.689774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.689774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.689774 (E_RNA)
where:
Base-Base interactions energy: -179.731
where: short stacking energy: -72.330
Base-Backbone interact. energy: 0.321
local terms energy: -94.279889
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -218.041099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041099 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.085
local terms energy: -81.870152
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -204.443952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.443952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.443952 (E_RNA)
where:
Base-Base interactions energy: -125.318
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.176
local terms energy: -78.950570
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -197.348284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.348284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.348284 (E_RNA)
where:
Base-Base interactions energy: -127.498
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.031
local terms energy: -69.819526
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -6.099
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: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -190.445697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.445697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.445697 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -51.732
Base-Backbone interact. energy: -0.179
local terms energy: -66.906809
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -161.082022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.082022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.082022 (E_RNA)
where:
Base-Base interactions energy: -103.006
where: short stacking energy: -50.963
Base-Backbone interact. energy: -0.020
local terms energy: -58.055336
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -112.300343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.300343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.300343 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -35.292
Base-Backbone interact. energy: -1.540
local terms energy: -63.955502
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -87.665522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665522 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -26.885
Base-Backbone interact. energy: -0.225
local terms energy: -58.245613
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -8.893
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: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -80.822707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.822707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.822707 (E_RNA)
where:
Base-Base interactions energy: -21.515
where: short stacking energy: -14.105
Base-Backbone interact. energy: 0.178
local terms energy: -59.485848
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -5.728
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: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -277.710785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.710785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.710785 (E_RNA)
where:
Base-Base interactions energy: -192.586
where: short stacking energy: -74.882
Base-Backbone interact. energy: -0.449
local terms energy: -84.676246
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -8.826
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: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -259.516659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.516659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.516659 (E_RNA)
where:
Base-Base interactions energy: -174.171
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.621
local terms energy: -84.724858
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -226.688331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.688331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.688331 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -71.353
Base-Backbone interact. energy: -1.130
local terms energy: -83.266290
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -20.887
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: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -206.626283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.626283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.626283 (E_RNA)
where:
Base-Base interactions energy: -119.504
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.200
local terms energy: -86.922677
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -18.029
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: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -193.641103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.641103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.641103 (E_RNA)
where:
Base-Base interactions energy: -113.445
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.655
local terms energy: -79.540864
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -16.336
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: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -189.242438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.242438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.242438 (E_RNA)
where:
Base-Base interactions energy: -122.411
where: short stacking energy: -53.814
Base-Backbone interact. energy: -0.104
local terms energy: -66.727257
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -187.557097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.557097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.557097 (E_RNA)
where:
Base-Base interactions energy: -115.082
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.077
local terms energy: -72.397519
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -118.458033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.458033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.458033 (E_RNA)
where:
Base-Base interactions energy: -51.912
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.366
local terms energy: -66.180445
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -10.102
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: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -94.715739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.715739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.715739 (E_RNA)
where:
Base-Base interactions energy: -33.381
where: short stacking energy: -33.381
Base-Backbone interact. energy: -0.039
local terms energy: -61.295894
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -96.715815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.715815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.715815 (E_RNA)
where:
Base-Base interactions energy: -43.662
where: short stacking energy: -19.760
Base-Backbone interact. energy: -0.627
local terms energy: -52.427393
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: 3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -270.046660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.046660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.046660 (E_RNA)
where:
Base-Base interactions energy: -180.300
where: short stacking energy: -78.407
Base-Backbone interact. energy: -0.719
local terms energy: -89.028100
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -267.715221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.715221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.715221 (E_RNA)
where:
Base-Base interactions energy: -178.600
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.461
local terms energy: -88.655080
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -203.775715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.775715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.775715 (E_RNA)
where:
Base-Base interactions energy: -137.549
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.544
local terms energy: -65.682749
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -5.077
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: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -219.172078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.172078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.172078 (E_RNA)
where:
Base-Base interactions energy: -133.303
where: short stacking energy: -72.925
Base-Backbone interact. energy: -0.045
local terms energy: -85.823323
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -202.604696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.604696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.604696 (E_RNA)
where:
Base-Base interactions energy: -131.432
where: short stacking energy: -68.062
Base-Backbone interact. energy: -0.435
local terms energy: -70.737050
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -194.934060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.934060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.934060 (E_RNA)
where:
Base-Base interactions energy: -120.477
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.200
local terms energy: -74.257389
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -187.392666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.392666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.392666 (E_RNA)
where:
Base-Base interactions energy: -113.518
where: short stacking energy: -55.091
Base-Backbone interact. energy: -0.670
local terms energy: -73.204145
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -104.335647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.335647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.335647 (E_RNA)
where:
Base-Base interactions energy: -35.399
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.317
local terms energy: -68.619668
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -7.750
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: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -97.048782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.048782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.048782 (E_RNA)
where:
Base-Base interactions energy: -36.822
where: short stacking energy: -32.506
Base-Backbone interact. energy: -0.183
local terms energy: -60.043892
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -6.698
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: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -94.072109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.072109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.072109 (E_RNA)
where:
Base-Base interactions energy: -38.251
where: short stacking energy: -35.946
Base-Backbone interact. energy: -0.306
local terms energy: -55.515024
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -274.991801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.991801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.991801 (E_RNA)
where:
Base-Base interactions energy: -185.015
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.572
local terms energy: -89.405405
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -19.926
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: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -269.850848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.850848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.850848 (E_RNA)
where:
Base-Base interactions energy: -185.410
where: short stacking energy: -70.584
Base-Backbone interact. energy: 0.357
local terms energy: -84.797601
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -219.348901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.348901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.348901 (E_RNA)
where:
Base-Base interactions energy: -142.565
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.719
local terms energy: -76.064682
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -201.441277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.441277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.441277 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -55.441
Base-Backbone interact. energy: -0.185
local terms energy: -81.981806
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -8.176
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: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -232.285237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.285237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.285237 (E_RNA)
where:
Base-Base interactions energy: -149.381
where: short stacking energy: -68.982
Base-Backbone interact. energy: -0.025
local terms energy: -82.879450
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -185.673127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.673127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.673127 (E_RNA)
where:
Base-Base interactions energy: -125.150
where: short stacking energy: -56.250
Base-Backbone interact. energy: 2.282
local terms energy: -62.805317
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -13.117
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: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -195.960963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.960963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.960963 (E_RNA)
where:
Base-Base interactions energy: -125.670
where: short stacking energy: -54.322
Base-Backbone interact. energy: -0.298
local terms energy: -69.992342
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.176
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: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -105.955126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.955126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.955126 (E_RNA)
where:
Base-Base interactions energy: -44.784
where: short stacking energy: -37.522
Base-Backbone interact. energy: -0.092
local terms energy: -61.078945
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -100.059389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.059389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.059389 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -34.373
Base-Backbone interact. energy: -0.513
local terms energy: -62.311040
where:
bonds (distance) C4'-P energy: -6.521
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -85.771436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.771436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.771436 (E_RNA)
where:
Base-Base interactions energy: -35.050
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.199
local terms energy: -50.522031
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -273.626126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.626126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.626126 (E_RNA)
where:
Base-Base interactions energy: -190.602
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.402
local terms energy: -82.622569
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.524
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: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -261.038488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.038488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.038488 (E_RNA)
where:
Base-Base interactions energy: -171.850
where: short stacking energy: -83.067
Base-Backbone interact. energy: -0.810
local terms energy: -88.378394
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -23.194
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: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -214.952981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.952981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.952981 (E_RNA)
where:
Base-Base interactions energy: -132.902
where: short stacking energy: -61.125
Base-Backbone interact. energy: 0.791
local terms energy: -82.842458
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -14.519
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: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -214.007517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.007517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.007517 (E_RNA)
where:
Base-Base interactions energy: -128.527
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.066
local terms energy: -85.414004
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -213.093657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.093657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.093657 (E_RNA)
where:
Base-Base interactions energy: -130.298
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.880
local terms energy: -81.915821
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -191.460337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.460337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.460337 (E_RNA)
where:
Base-Base interactions energy: -119.639
where: short stacking energy: -60.187
Base-Backbone interact. energy: 0.985
local terms energy: -72.805999
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -12.630
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: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -185.476171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.476171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476171 (E_RNA)
where:
Base-Base interactions energy: -118.494
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.399
local terms energy: -66.583429
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -93.430059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.430059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.430059 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -22.318
Base-Backbone interact. energy: 0.237
local terms energy: -61.238526
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -82.304139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.304139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.304139 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -25.196
Base-Backbone interact. energy: 1.047
local terms energy: -53.686956
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -98.033690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.033690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.033690 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -41.473
Base-Backbone interact. energy: 0.454
local terms energy: -52.981043
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -6.751
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -268.609375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.609375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.609375 (E_RNA)
where:
Base-Base interactions energy: -175.974
where: short stacking energy: -62.338
Base-Backbone interact. energy: -0.539
local terms energy: -92.096531
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -256.616288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.616288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.616288 (E_RNA)
where:
Base-Base interactions energy: -172.084
where: short stacking energy: -74.374
Base-Backbone interact. energy: -0.352
local terms energy: -84.180713
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -9.553
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: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -219.375973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.375973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.375973 (E_RNA)
where:
Base-Base interactions energy: -131.910
where: short stacking energy: -62.355
Base-Backbone interact. energy: -1.230
local terms energy: -86.236483
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -210.802617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.802617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.802617 (E_RNA)
where:
Base-Base interactions energy: -133.153
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.698
local terms energy: -76.951101
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -198.573829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.573829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.573829 (E_RNA)
where:
Base-Base interactions energy: -119.939
where: short stacking energy: -60.618
Base-Backbone interact. energy: -0.046
local terms energy: -78.589119
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -190.573452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.573452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.573452 (E_RNA)
where:
Base-Base interactions energy: -123.801
where: short stacking energy: -46.400
Base-Backbone interact. energy: 1.165
local terms energy: -67.936696
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -192.077184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.077184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.077184 (E_RNA)
where:
Base-Base interactions energy: -111.225
where: short stacking energy: -53.153
Base-Backbone interact. energy: -0.270
local terms energy: -80.582651
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -17.041
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: 477
Temperature: 1.250000
Total energy: -104.242936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.242936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.242936 (E_RNA)
where:
Base-Base interactions energy: -59.904
where: short stacking energy: -27.660
Base-Backbone interact. energy: 1.793
local terms energy: -46.132589
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -2.696
tors. eta vs tors. theta energy: 2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -97.781965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.781965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.781965 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -38.345
Base-Backbone interact. energy: -1.752
local terms energy: -56.294874
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -83.974878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.974878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.974878 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -30.308
Base-Backbone interact. energy: -0.059
local terms energy: -49.363694
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: 3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -270.250638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.250638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.250638 (E_RNA)
where:
Base-Base interactions energy: -182.924
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.470
local terms energy: -86.856314
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -23.174
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: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -251.490724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.490724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.490724 (E_RNA)
where:
Base-Base interactions energy: -168.334
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.223
local terms energy: -82.933625
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -205.900099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.900099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.900099 (E_RNA)
where:
Base-Base interactions energy: -121.872
where: short stacking energy: -65.353
Base-Backbone interact. energy: -0.007
local terms energy: -84.021589
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -213.877888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.877888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.877888 (E_RNA)
where:
Base-Base interactions energy: -135.293
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.308
local terms energy: -78.277546
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -15.123
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: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -189.853223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.853223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.853223 (E_RNA)
where:
Base-Base interactions energy: -109.571
where: short stacking energy: -54.655
Base-Backbone interact. energy: -0.306
local terms energy: -79.976331
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -164.165163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.165163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.165163 (E_RNA)
where:
Base-Base interactions energy: -91.576
where: short stacking energy: -45.650
Base-Backbone interact. energy: -0.145
local terms energy: -72.444514
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -121.524350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.524350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.524350 (E_RNA)
where:
Base-Base interactions energy: -53.970
where: short stacking energy: -26.947
Base-Backbone interact. energy: -0.270
local terms energy: -67.284379
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -7.869
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: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -183.457495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.457495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.457495 (E_RNA)
where:
Base-Base interactions energy: -116.864
where: short stacking energy: -49.019
Base-Backbone interact. energy: -0.173
local terms energy: -66.420142
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -11.568
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: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -98.776361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.776361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.776361 (E_RNA)
where:
Base-Base interactions energy: -46.505
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.425
local terms energy: -51.845789
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -6.757
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: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -98.254276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.254276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.254276 (E_RNA)
where:
Base-Base interactions energy: -40.235
where: short stacking energy: -29.927
Base-Backbone interact. energy: -0.288
local terms energy: -57.731120
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -268.729592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.729592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.729592 (E_RNA)
where:
Base-Base interactions energy: -187.903
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.513
local terms energy: -80.313791
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -215.623179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.623179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.623179 (E_RNA)
where:
Base-Base interactions energy: -127.142
where: short stacking energy: -60.235
Base-Backbone interact. energy: 0.143
local terms energy: -88.623857
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -14.583
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: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -256.521427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.521427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.521427 (E_RNA)
where:
Base-Base interactions energy: -172.139
where: short stacking energy: -75.621
Base-Backbone interact. energy: -0.206
local terms energy: -84.177264
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -212.313551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.313551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.313551 (E_RNA)
where:
Base-Base interactions energy: -129.656
where: short stacking energy: -68.726
Base-Backbone interact. energy: -1.299
local terms energy: -81.358502
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -199.733456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.733456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.733456 (E_RNA)
where:
Base-Base interactions energy: -119.236
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.180
local terms energy: -80.317969
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -14.044
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: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -187.619543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.619543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.619543 (E_RNA)
where:
Base-Base interactions energy: -117.783
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.861
local terms energy: -68.975939
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.340
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: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -154.549459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.549459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.549459 (E_RNA)
where:
Base-Base interactions energy: -85.640
where: short stacking energy: -35.149
Base-Backbone interact. energy: -0.602
local terms energy: -68.306820
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -176.949423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.949423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.949423 (E_RNA)
where:
Base-Base interactions energy: -106.352
where: short stacking energy: -47.115
Base-Backbone interact. energy: -0.500
local terms energy: -70.098039
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -93.278357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278357 (E_RNA)
where:
Base-Base interactions energy: -33.542
where: short stacking energy: -27.792
Base-Backbone interact. energy: -0.725
local terms energy: -59.011600
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -1.520
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: 479
Temperature: 1.350000
Total energy: -87.385589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.385589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.385589 (E_RNA)
where:
Base-Base interactions energy: -34.064
where: short stacking energy: -31.610
Base-Backbone interact. energy: 1.266
local terms energy: -54.587338
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -260.712594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.712594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.712594 (E_RNA)
where:
Base-Base interactions energy: -171.056
where: short stacking energy: -71.223
Base-Backbone interact. energy: -0.584
local terms energy: -89.072748
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -19.947
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: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -227.657516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.657516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.657516 (E_RNA)
where:
Base-Base interactions energy: -152.339
where: short stacking energy: -52.136
Base-Backbone interact. energy: -0.216
local terms energy: -75.102455
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -9.700
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: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -267.564874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.564874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.564874 (E_RNA)
where:
Base-Base interactions energy: -183.795
where: short stacking energy: -78.751
Base-Backbone interact. energy: -0.429
local terms energy: -83.340744
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -209.010818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.010818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.010818 (E_RNA)
where:
Base-Base interactions energy: -132.118
where: short stacking energy: -70.921
Base-Backbone interact. energy: -0.137
local terms energy: -76.756096
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -6.993
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: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -201.683964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.683964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.683964 (E_RNA)
where:
Base-Base interactions energy: -133.061
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.198
local terms energy: -68.425133
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -12.874
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: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -190.591219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.591219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.591219 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.223
local terms energy: -71.814583
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -12.844
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: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -189.088597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.088597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.088597 (E_RNA)
where:
Base-Base interactions energy: -116.420
where: short stacking energy: -51.174
Base-Backbone interact. energy: -1.070
local terms energy: -71.598731
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -12.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -168.614524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.614524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.614524 (E_RNA)
where:
Base-Base interactions energy: -106.534
where: short stacking energy: -49.869
Base-Backbone interact. energy: -0.708
local terms energy: -61.373172
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -99.915692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.915692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.915692 (E_RNA)
where:
Base-Base interactions energy: -37.416
where: short stacking energy: -33.857
Base-Backbone interact. energy: 0.120
local terms energy: -62.619619
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -3.940
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: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -101.900094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.900094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.900094 (E_RNA)
where:
Base-Base interactions energy: -50.324
where: short stacking energy: -23.002
Base-Backbone interact. energy: -0.084
local terms energy: -51.492392
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -1.638
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: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -269.383985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.383985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.383985 (E_RNA)
where:
Base-Base interactions energy: -185.120
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.668
local terms energy: -83.595804
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -261.618275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.618275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.618275 (E_RNA)
where:
Base-Base interactions energy: -180.196
where: short stacking energy: -81.011
Base-Backbone interact. energy: -0.437
local terms energy: -80.985835
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -20.589
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: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -212.882097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.882097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.882097 (E_RNA)
where:
Base-Base interactions energy: -134.320
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.217
local terms energy: -78.345444
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -203.843166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.843166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.843166 (E_RNA)
where:
Base-Base interactions energy: -125.137
where: short stacking energy: -65.499
Base-Backbone interact. energy: -0.709
local terms energy: -77.997048
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -18.365
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: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -197.665360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.665360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.665360 (E_RNA)
where:
Base-Base interactions energy: -120.614
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.806
local terms energy: -76.245220
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -197.028830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.028830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.028830 (E_RNA)
where:
Base-Base interactions energy: -123.334
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.021
local terms energy: -73.673815
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -176.014988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.014988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.014988 (E_RNA)
where:
Base-Base interactions energy: -106.817
where: short stacking energy: -45.458
Base-Backbone interact. energy: -0.691
local terms energy: -68.507197
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -6.922
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: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -182.918478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.918478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.918478 (E_RNA)
where:
Base-Base interactions energy: -118.342
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.405
local terms energy: -64.171432
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -10.265
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: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -103.342517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.342517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.342517 (E_RNA)
where:
Base-Base interactions energy: -43.689
where: short stacking energy: -43.689
Base-Backbone interact. energy: -0.015
local terms energy: -59.638109
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -83.323754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.323754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.323754 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -27.506
Base-Backbone interact. energy: 0.157
local terms energy: -47.038802
where:
bonds (distance) C4'-P energy: -4.377
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -265.307933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.307933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.307933 (E_RNA)
where:
Base-Base interactions energy: -183.992
where: short stacking energy: -70.892
Base-Backbone interact. energy: 0.747
local terms energy: -82.063173
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -261.895590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.895590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.895590 (E_RNA)
where:
Base-Base interactions energy: -172.786
where: short stacking energy: -76.683
Base-Backbone interact. energy: -0.952
local terms energy: -88.157088
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -232.880594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.880594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.880594 (E_RNA)
where:
Base-Base interactions energy: -152.994
where: short stacking energy: -60.922
Base-Backbone interact. energy: -0.320
local terms energy: -79.565944
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -14.649
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: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -202.193096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.193096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.193096 (E_RNA)
where:
Base-Base interactions energy: -120.391
where: short stacking energy: -51.575
Base-Backbone interact. energy: -0.316
local terms energy: -81.486239
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -200.919113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.919113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.919113 (E_RNA)
where:
Base-Base interactions energy: -134.543
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.004
local terms energy: -66.371923
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -15.261
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: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -200.737266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.737266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.737266 (E_RNA)
where:
Base-Base interactions energy: -136.119
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.013
local terms energy: -64.605182
where:
bonds (distance) C4'-P energy: -6.960
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -13.422
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: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -184.633421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.633421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.633421 (E_RNA)
where:
Base-Base interactions energy: -123.357
where: short stacking energy: -54.647
Base-Backbone interact. energy: -1.158
local terms energy: -60.118379
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -5.335
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: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -157.548434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.548434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.548434 (E_RNA)
where:
Base-Base interactions energy: -94.673
where: short stacking energy: -37.356
Base-Backbone interact. energy: -0.933
local terms energy: -61.942446
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -4.581
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: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -102.813944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.813944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.813944 (E_RNA)
where:
Base-Base interactions energy: -49.091
where: short stacking energy: -46.229
Base-Backbone interact. energy: -0.275
local terms energy: -53.447439
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -8.006
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -83.800620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800620 (E_RNA)
where:
Base-Base interactions energy: -33.893
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.155
local terms energy: -49.752525
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -272.397623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.397623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.397623 (E_RNA)
where:
Base-Base interactions energy: -183.109
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.641
local terms energy: -88.647379
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -15.390
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: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -268.874941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.874941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.874941 (E_RNA)
where:
Base-Base interactions energy: -180.591
where: short stacking energy: -82.558
Base-Backbone interact. energy: -0.612
local terms energy: -87.671342
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -24.236
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: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -220.709818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.709818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.709818 (E_RNA)
where:
Base-Base interactions energy: -145.182
where: short stacking energy: -56.005
Base-Backbone interact. energy: -1.232
local terms energy: -74.295404
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -206.411054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.411054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.411054 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -58.772
Base-Backbone interact. energy: 3.102
local terms energy: -79.104335
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -11.420
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: 483
Temperature: 1.100000
Total energy: -190.473415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.473415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.473415 (E_RNA)
where:
Base-Base interactions energy: -116.994
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.247
local terms energy: -73.231838
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -194.174730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.174730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.174730 (E_RNA)
where:
Base-Base interactions energy: -115.953
where: short stacking energy: -51.045
Base-Backbone interact. energy: -0.369
local terms energy: -77.852645
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -183.888384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.888384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.888384 (E_RNA)
where:
Base-Base interactions energy: -112.854
where: short stacking energy: -53.394
Base-Backbone interact. energy: -0.159
local terms energy: -70.874448
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -15.409
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: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -170.617436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.617436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.617436 (E_RNA)
where:
Base-Base interactions energy: -110.195
where: short stacking energy: -50.015
Base-Backbone interact. energy: -0.595
local terms energy: -59.827344
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -6.822
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: 483
Temperature: 1.300000
Total energy: -85.885443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885443 (E_RNA)
where:
Base-Base interactions energy: -32.199
where: short stacking energy: -31.376
Base-Backbone interact. energy: -0.137
local terms energy: -53.548914
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -86.335359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.335359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.335359 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.098
local terms energy: -59.347613
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: 3.998
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: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -275.507296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.507296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.507296 (E_RNA)
where:
Base-Base interactions energy: -188.036
where: short stacking energy: -72.325
Base-Backbone interact. energy: 1.131
local terms energy: -88.601617
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -22.686
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -258.093585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.093585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.093585 (E_RNA)
where:
Base-Base interactions energy: -171.634
where: short stacking energy: -71.674
Base-Backbone interact. energy: -0.319
local terms energy: -86.140133
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -209.914019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.914019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.914019 (E_RNA)
where:
Base-Base interactions energy: -128.604
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.821
local terms energy: -80.488798
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -208.497826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.497826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.497826 (E_RNA)
where:
Base-Base interactions energy: -141.212
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.048
local terms energy: -67.238663
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.178
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: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -201.849248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.849248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.849248 (E_RNA)
where:
Base-Base interactions energy: -121.469
where: short stacking energy: -63.133
Base-Backbone interact. energy: 0.202
local terms energy: -80.581854
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -195.792916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.792916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.792916 (E_RNA)
where:
Base-Base interactions energy: -127.588
where: short stacking energy: -59.869
Base-Backbone interact. energy: -0.890
local terms energy: -67.315902
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -10.432
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: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -178.502596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.502596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.502596 (E_RNA)
where:
Base-Base interactions energy: -100.340
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.690
local terms energy: -77.473479
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -15.072
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: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -177.518546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.518546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.518546 (E_RNA)
where:
Base-Base interactions energy: -109.134
where: short stacking energy: -50.854
Base-Backbone interact. energy: -0.745
local terms energy: -67.639692
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -99.900963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.900963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.900963 (E_RNA)
where:
Base-Base interactions energy: -33.446
where: short stacking energy: -24.729
Base-Backbone interact. energy: -0.152
local terms energy: -66.302555
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -3.943
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: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -93.468511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.468511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.468511 (E_RNA)
where:
Base-Base interactions energy: -38.645
where: short stacking energy: -36.113
Base-Backbone interact. energy: -0.078
local terms energy: -54.745881
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -4.241
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: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -274.150948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.150948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.150948 (E_RNA)
where:
Base-Base interactions energy: -175.132
where: short stacking energy: -77.394
Base-Backbone interact. energy: 0.425
local terms energy: -99.443377
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -261.523507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.523507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.523507 (E_RNA)
where:
Base-Base interactions energy: -177.844
where: short stacking energy: -72.424
Base-Backbone interact. energy: -0.465
local terms energy: -83.214937
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -210.577961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.577961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.577961 (E_RNA)
where:
Base-Base interactions energy: -125.512
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.010
local terms energy: -85.056253
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -208.284292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.284292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.284292 (E_RNA)
where:
Base-Base interactions energy: -134.231
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.427
local terms energy: -73.626826
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -197.692910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.692910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.692910 (E_RNA)
where:
Base-Base interactions energy: -116.893
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.011
local terms energy: -80.789195
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -9.683
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: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -180.346253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.346253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.346253 (E_RNA)
where:
Base-Base interactions energy: -111.740
where: short stacking energy: -43.812
Base-Backbone interact. energy: 0.157
local terms energy: -68.763405
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -10.417
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: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -188.784307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.784307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.784307 (E_RNA)
where:
Base-Base interactions energy: -119.307
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.800
local terms energy: -68.677702
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -111.112449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.112449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.112449 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -32.730
Base-Backbone interact. energy: -0.098
local terms energy: -70.558320
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -123.982824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.982824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.982824 (E_RNA)
where:
Base-Base interactions energy: -75.662
where: short stacking energy: -37.115
Base-Backbone interact. energy: -0.564
local terms energy: -47.757623
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -1.034
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: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -93.695401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.695401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.695401 (E_RNA)
where:
Base-Base interactions energy: -44.136
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.110
local terms energy: -49.449248
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -8.262
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: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -267.244841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.244841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.244841 (E_RNA)
where:
Base-Base interactions energy: -175.055
where: short stacking energy: -78.991
Base-Backbone interact. energy: -1.208
local terms energy: -90.981999
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -250.147773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.147773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.147773 (E_RNA)
where:
Base-Base interactions energy: -172.373
where: short stacking energy: -72.212
Base-Backbone interact. energy: -1.189
local terms energy: -76.585949
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -208.508830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.508830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.508830 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -59.848
Base-Backbone interact. energy: -0.510
local terms energy: -79.012878
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -12.892
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: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -206.426287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.426287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.426287 (E_RNA)
where:
Base-Base interactions energy: -127.788
where: short stacking energy: -66.887
Base-Backbone interact. energy: 1.297
local terms energy: -79.935789
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -203.014222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.014222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.014222 (E_RNA)
where:
Base-Base interactions energy: -123.923
where: short stacking energy: -55.182
Base-Backbone interact. energy: 1.613
local terms energy: -80.704234
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -187.329356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.329356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.329356 (E_RNA)
where:
Base-Base interactions energy: -108.077
where: short stacking energy: -48.357
Base-Backbone interact. energy: -0.203
local terms energy: -79.048991
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -199.083910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.083910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.083910 (E_RNA)
where:
Base-Base interactions energy: -123.723
where: short stacking energy: -57.020
Base-Backbone interact. energy: -0.318
local terms energy: -75.042699
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -17.904
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: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -113.838648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.838648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.838648 (E_RNA)
where:
Base-Base interactions energy: -57.881
where: short stacking energy: -39.353
Base-Backbone interact. energy: -0.752
local terms energy: -55.205614
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -88.200575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.200575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.200575 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -34.502
Base-Backbone interact. energy: -0.085
local terms energy: -52.949091
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: 0.435
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: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -132.727723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.727723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.727723 (E_RNA)
where:
Base-Base interactions energy: -92.919
where: short stacking energy: -45.055
Base-Backbone interact. energy: -0.170
local terms energy: -39.639361
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -281.585989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.585989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.585989 (E_RNA)
where:
Base-Base interactions energy: -186.831
where: short stacking energy: -77.593
Base-Backbone interact. energy: -0.925
local terms energy: -93.829320
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -258.414398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.414398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.414398 (E_RNA)
where:
Base-Base interactions energy: -179.990
where: short stacking energy: -74.466
Base-Backbone interact. energy: -0.205
local terms energy: -78.219130
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -211.446186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.446186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.446186 (E_RNA)
where:
Base-Base interactions energy: -134.055
where: short stacking energy: -60.937
Base-Backbone interact. energy: 0.265
local terms energy: -77.656262
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -207.464463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.464463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.464463 (E_RNA)
where:
Base-Base interactions energy: -123.269
where: short stacking energy: -66.871
Base-Backbone interact. energy: -0.012
local terms energy: -84.183653
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -21.994
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: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -195.517266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.517266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.517266 (E_RNA)
where:
Base-Base interactions energy: -114.839
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.025
local terms energy: -80.652659
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -190.263189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.263189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.263189 (E_RNA)
where:
Base-Base interactions energy: -116.024
where: short stacking energy: -46.986
Base-Backbone interact. energy: -0.242
local terms energy: -73.996392
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -194.631952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.631952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.631952 (E_RNA)
where:
Base-Base interactions energy: -118.030
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.235
local terms energy: -76.366539
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -102.635565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.635565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.635565 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.168
local terms energy: -57.585845
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.222
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: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -99.745245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.745245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.745245 (E_RNA)
where:
Base-Base interactions energy: -45.992
where: short stacking energy: -43.073
Base-Backbone interact. energy: -0.242
local terms energy: -53.510794
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -5.721
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -135.050567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.050567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.050567 (E_RNA)
where:
Base-Base interactions energy: -77.041
where: short stacking energy: -40.872
Base-Backbone interact. energy: -0.621
local terms energy: -57.388267
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -271.431262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.431262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.431262 (E_RNA)
where:
Base-Base interactions energy: -185.108
where: short stacking energy: -77.400
Base-Backbone interact. energy: -0.548
local terms energy: -85.775439
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -257.146119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.146119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.146119 (E_RNA)
where:
Base-Base interactions energy: -164.670
where: short stacking energy: -76.060
Base-Backbone interact. energy: -0.486
local terms energy: -91.989509
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -19.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -218.143034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.143034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.143034 (E_RNA)
where:
Base-Base interactions energy: -134.424
where: short stacking energy: -65.523
Base-Backbone interact. energy: -1.300
local terms energy: -82.419131
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -211.151438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.151438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.151438 (E_RNA)
where:
Base-Base interactions energy: -136.188
where: short stacking energy: -67.430
Base-Backbone interact. energy: 0.087
local terms energy: -75.050261
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -201.137869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137869 (E_RNA)
where:
Base-Base interactions energy: -129.041
where: short stacking energy: -62.706
Base-Backbone interact. energy: 0.713
local terms energy: -72.810664
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -190.643421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.643421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.643421 (E_RNA)
where:
Base-Base interactions energy: -112.103
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.456
local terms energy: -78.084075
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -13.886
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: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -185.860254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.860254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.860254 (E_RNA)
where:
Base-Base interactions energy: -113.751
where: short stacking energy: -56.974
Base-Backbone interact. energy: 1.891
local terms energy: -73.999968
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -13.435
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: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -107.562275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.562275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.562275 (E_RNA)
where:
Base-Base interactions energy: -46.232
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.201
local terms energy: -61.129201
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -6.409
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: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -147.449860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.449860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.449860 (E_RNA)
where:
Base-Base interactions energy: -93.608
where: short stacking energy: -40.959
Base-Backbone interact. energy: -0.230
local terms energy: -53.611814
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -10.674
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: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -85.171203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.171203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.171203 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -15.441
Base-Backbone interact. energy: 0.748
local terms energy: -50.996563
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -272.655264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.655264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.655264 (E_RNA)
where:
Base-Base interactions energy: -184.953
where: short stacking energy: -73.399
Base-Backbone interact. energy: -0.129
local terms energy: -87.573098
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -241.674967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.674967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.674967 (E_RNA)
where:
Base-Base interactions energy: -159.718
where: short stacking energy: -70.252
Base-Backbone interact. energy: 0.242
local terms energy: -82.199354
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -223.914978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.914978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.914978 (E_RNA)
where:
Base-Base interactions energy: -137.143
where: short stacking energy: -72.799
Base-Backbone interact. energy: -0.048
local terms energy: -86.723993
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -20.758
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: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -226.491602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.491602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.491602 (E_RNA)
where:
Base-Base interactions energy: -147.727
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.426
local terms energy: -78.338085
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -202.666865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.666865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.666865 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.097
local terms energy: -79.896388
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -11.312
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: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -200.673562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.673562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.673562 (E_RNA)
where:
Base-Base interactions energy: -125.843
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.525
local terms energy: -74.305938
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -13.111
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: 489
Temperature: 1.200000
Total energy: -163.859072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.859072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.859072 (E_RNA)
where:
Base-Base interactions energy: -99.896
where: short stacking energy: -46.566
Base-Backbone interact. energy: 1.749
local terms energy: -65.712282
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -7.685
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: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -149.541740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.541740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.541740 (E_RNA)
where:
Base-Base interactions energy: -87.475
where: short stacking energy: -40.241
Base-Backbone interact. energy: -0.282
local terms energy: -61.784386
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -92.358655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358655 (E_RNA)
where:
Base-Base interactions energy: -43.766
where: short stacking energy: -29.471
Base-Backbone interact. energy: -0.171
local terms energy: -48.420930
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: 0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -88.353256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.353256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.353256 (E_RNA)
where:
Base-Base interactions energy: -34.122
where: short stacking energy: -30.387
Base-Backbone interact. energy: 0.064
local terms energy: -54.295229
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -5.610
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)
out arg RESULTS//1/8-VP3-O-d3c0fc99_01
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -272.989807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.989807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.989807 (E_RNA)
where:
Base-Base interactions energy: -184.586
where: short stacking energy: -75.263
Base-Backbone interact. energy: 0.902
local terms energy: -89.306454
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -254.794716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.794716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.794716 (E_RNA)
where:
Base-Base interactions energy: -178.338
where: short stacking energy: -75.530
Base-Backbone interact. energy: -0.987
local terms energy: -75.469318
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -223.476608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.476608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.476608 (E_RNA)
where:
Base-Base interactions energy: -148.831
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.971
local terms energy: -73.675278
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -17.492
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: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -200.920049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.920049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.920049 (E_RNA)
where:
Base-Base interactions energy: -129.407
where: short stacking energy: -55.863
Base-Backbone interact. energy: 0.369
local terms energy: -71.881933
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -14.764
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: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -196.653089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.653089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.653089 (E_RNA)
where:
Base-Base interactions energy: -119.581
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.183
local terms energy: -76.889204
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -16.498
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: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -200.569913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.569913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.569913 (E_RNA)
where:
Base-Base interactions energy: -115.291
where: short stacking energy: -55.351
Base-Backbone interact. energy: -0.054
local terms energy: -85.225251
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -18.299
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: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -173.127280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.127280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.127280 (E_RNA)
where:
Base-Base interactions energy: -112.571
where: short stacking energy: -53.083
Base-Backbone interact. energy: -0.140
local terms energy: -60.416099
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -9.272
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: 490
Temperature: 1.250000
Total energy: -184.814258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.814258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.814258 (E_RNA)
where:
Base-Base interactions energy: -118.678
where: short stacking energy: -48.823
Base-Backbone interact. energy: -0.119
local terms energy: -66.017286
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -16.480
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: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -86.731101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.731101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.731101 (E_RNA)
where:
Base-Base interactions energy: -34.195
where: short stacking energy: -32.185
Base-Backbone interact. energy: 0.454
local terms energy: -52.990148
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -83.698503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.698503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.698503 (E_RNA)
where:
Base-Base interactions energy: -31.402
where: short stacking energy: -17.625
Base-Backbone interact. energy: -0.751
local terms energy: -51.545739
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -270.983495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.983495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.983495 (E_RNA)
where:
Base-Base interactions energy: -179.271
where: short stacking energy: -71.262
Base-Backbone interact. energy: -0.637
local terms energy: -91.075369
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -19.711
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: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -254.437953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.437953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.437953 (E_RNA)
where:
Base-Base interactions energy: -171.706
where: short stacking energy: -78.971
Base-Backbone interact. energy: -0.651
local terms energy: -82.081853
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -20.943
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: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -210.401891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.401891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.401891 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.098
local terms energy: -73.803763
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -209.572825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.572825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.572825 (E_RNA)
where:
Base-Base interactions energy: -130.867
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.157
local terms energy: -78.548962
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -9.928
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: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -211.928466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.928466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.928466 (E_RNA)
where:
Base-Base interactions energy: -130.749
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.009
local terms energy: -81.170359
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -190.929514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.929514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.929514 (E_RNA)
where:
Base-Base interactions energy: -115.189
where: short stacking energy: -55.254
Base-Backbone interact. energy: -0.163
local terms energy: -75.577502
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -182.376647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.376647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.376647 (E_RNA)
where:
Base-Base interactions energy: -117.105
where: short stacking energy: -56.005
Base-Backbone interact. energy: -0.256
local terms energy: -65.015046
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -12.529
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: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -93.933239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.933239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.933239 (E_RNA)
where:
Base-Base interactions energy: -40.013
where: short stacking energy: -33.843
Base-Backbone interact. energy: 3.571
local terms energy: -57.491474
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -13.038
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: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -180.369368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.369368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.369368 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -54.758
Base-Backbone interact. energy: -0.567
local terms energy: -58.937941
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -10.747
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: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -82.585804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585804 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -36.015
Base-Backbone interact. energy: -0.146
local terms energy: -46.507225
where:
bonds (distance) C4'-P energy: -8.089
bonds (distance) P-C4' energy: -10.025
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -10.343
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -265.645523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.645523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.645523 (E_RNA)
where:
Base-Base interactions energy: -173.718
where: short stacking energy: -77.583
Base-Backbone interact. energy: -1.228
local terms energy: -90.699030
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -264.585382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.585382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.585382 (E_RNA)
where:
Base-Base interactions energy: -174.333
where: short stacking energy: -75.538
Base-Backbone interact. energy: 0.404
local terms energy: -90.656397
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -22.514
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: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -217.772272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.772272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.772272 (E_RNA)
where:
Base-Base interactions energy: -141.378
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.526
local terms energy: -75.867771
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -19.271
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: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -202.782691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.782691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.782691 (E_RNA)
where:
Base-Base interactions energy: -126.927
where: short stacking energy: -56.745
Base-Backbone interact. energy: -0.094
local terms energy: -75.761052
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -205.308855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.308855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.308855 (E_RNA)
where:
Base-Base interactions energy: -130.762
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.087
local terms energy: -74.459617
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -17.439
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: 492
Temperature: 1.150000
Total energy: -193.929061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.929061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.929061 (E_RNA)
where:
Base-Base interactions energy: -122.333
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.571
local terms energy: -71.025935
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -15.480
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: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -183.036083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.036083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.036083 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.079
local terms energy: -72.002685
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -90.437766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.437766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.437766 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.857
local terms energy: -52.663281
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.341
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: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -105.859918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.859918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.859918 (E_RNA)
where:
Base-Base interactions energy: -46.519
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.243
local terms energy: -59.097785
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -138.695826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.695826 (E_RNA)
where:
Base-Base interactions energy: -80.395
where: short stacking energy: -34.816
Base-Backbone interact. energy: -0.043
local terms energy: -58.257358
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -6.835
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -266.589985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.589985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.589985 (E_RNA)
where:
Base-Base interactions energy: -185.330
where: short stacking energy: -73.150
Base-Backbone interact. energy: -0.473
local terms energy: -80.787402
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -20.495
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: 493
Temperature: 0.950000
Total energy: -263.936062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.936062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.936062 (E_RNA)
where:
Base-Base interactions energy: -182.770
where: short stacking energy: -81.588
Base-Backbone interact. energy: -0.194
local terms energy: -80.972332
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -20.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -216.888186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.888186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.888186 (E_RNA)
where:
Base-Base interactions energy: -135.147
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.709
local terms energy: -81.032182
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -21.639
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: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -212.484050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.484050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.484050 (E_RNA)
where:
Base-Base interactions energy: -142.669
where: short stacking energy: -59.023
Base-Backbone interact. energy: -1.232
local terms energy: -68.583152
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -14.036
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: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -200.676749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.676749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.676749 (E_RNA)
where:
Base-Base interactions energy: -116.122
where: short stacking energy: -60.180
Base-Backbone interact. energy: -0.053
local terms energy: -84.501769
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -188.425628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.425628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.425628 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -52.586
Base-Backbone interact. energy: -0.181
local terms energy: -72.007291
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -190.855506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.855506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.855506 (E_RNA)
where:
Base-Base interactions energy: -119.085
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.682
local terms energy: -71.088205
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -11.485
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: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -92.763145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.763145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.763145 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -31.399
Base-Backbone interact. energy: -0.124
local terms energy: -60.164096
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.904
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: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -95.051174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.051174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.051174 (E_RNA)
where:
Base-Base interactions energy: -44.726
where: short stacking energy: -26.187
Base-Backbone interact. energy: 0.188
local terms energy: -50.513635
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: 1.113
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -96.398652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.398652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.398652 (E_RNA)
where:
Base-Base interactions energy: -49.458
where: short stacking energy: -24.990
Base-Backbone interact. energy: -0.749
local terms energy: -46.192035
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: 2.693
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -271.918588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.918588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.918588 (E_RNA)
where:
Base-Base interactions energy: -187.693
where: short stacking energy: -75.468
Base-Backbone interact. energy: 0.781
local terms energy: -85.007000
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -259.488301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.488301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.488301 (E_RNA)
where:
Base-Base interactions energy: -167.453
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.227
local terms energy: -91.808311
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -22.993
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: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -224.230485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.230485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.230485 (E_RNA)
where:
Base-Base interactions energy: -136.102
where: short stacking energy: -61.232
Base-Backbone interact. energy: -0.024
local terms energy: -88.104288
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -217.545530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.545530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.545530 (E_RNA)
where:
Base-Base interactions energy: -131.923
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.409
local terms energy: -85.213318
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -16.430
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: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -209.088420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.088420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.088420 (E_RNA)
where:
Base-Base interactions energy: -129.669
where: short stacking energy: -60.556
Base-Backbone interact. energy: 0.089
local terms energy: -79.508618
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -192.329475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.329475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.329475 (E_RNA)
where:
Base-Base interactions energy: -116.420
where: short stacking energy: -60.177
Base-Backbone interact. energy: -0.590
local terms energy: -75.319540
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -189.071186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.071186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.071186 (E_RNA)
where:
Base-Base interactions energy: -115.953
where: short stacking energy: -55.574
Base-Backbone interact. energy: -0.085
local terms energy: -73.033029
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -109.520513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.520513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.520513 (E_RNA)
where:
Base-Base interactions energy: -46.611
where: short stacking energy: -31.396
Base-Backbone interact. energy: 0.817
local terms energy: -63.726160
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -122.557045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.557045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.557045 (E_RNA)
where:
Base-Base interactions energy: -68.437
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.159
local terms energy: -53.961368
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -96.208335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208335 (E_RNA)
where:
Base-Base interactions energy: -35.120
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.251
local terms energy: -60.837308
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -4.752
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)
DONE
DONE
DONE
DONE