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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/577_Structure_Predic-d3084cea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/577_Structure_Predic-d3084cea/inputs/seq.fa: 1
curr_seq: _CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUUGCCUAACGCAGCCAUGGCUCGUGGUCCCAAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -126.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405884 (E_RNA)
where:
Base-Base interactions energy: -0.223
where: short stacking energy: -0.223
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -227.818075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.818075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.818075 (E_RNA)
where:
Base-Base interactions energy: -110.882
where: short stacking energy: -110.882
Base-Backbone interact. energy: -0.000
local terms energy: -116.936270
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -197.034048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.034048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.034048 (E_RNA)
where:
Base-Base interactions energy: -93.406
where: short stacking energy: -87.480
Base-Backbone interact. energy: -0.202
local terms energy: -103.426073
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -174.772813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.772813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.772813 (E_RNA)
where:
Base-Base interactions energy: -80.098
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.924
local terms energy: -93.750265
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -14.676
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: 2
Temperature: 1.050000
Total energy: -235.355269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.355269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.355269 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -70.330
Base-Backbone interact. energy: 0.558
local terms energy: -101.151526
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -223.314315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.314315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.314315 (E_RNA)
where:
Base-Base interactions energy: -130.452
where: short stacking energy: -63.550
Base-Backbone interact. energy: 0.538
local terms energy: -93.400420
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -168.248305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.248305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.248305 (E_RNA)
where:
Base-Base interactions energy: -77.189
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.225
local terms energy: -90.834073
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -139.281680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.281680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.281680 (E_RNA)
where:
Base-Base interactions energy: -54.681
where: short stacking energy: -53.152
Base-Backbone interact. energy: -0.288
local terms energy: -84.313070
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -16.653
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -132.131289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.131289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.131289 (E_RNA)
where:
Base-Base interactions energy: -53.562
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.009
local terms energy: -78.560005
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -4.462
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -126.690209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.690209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.690209 (E_RNA)
where:
Base-Base interactions energy: -14.452
where: short stacking energy: -14.452
Base-Backbone interact. energy: -0.000
local terms energy: -112.238501
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -8.740
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -139.436354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.436354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.436354 (E_RNA)
where:
Base-Base interactions energy: -77.461
where: short stacking energy: -45.487
Base-Backbone interact. energy: 0.452
local terms energy: -62.427685
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: 1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -209.238039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.238039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.238039 (E_RNA)
where:
Base-Base interactions energy: -102.549
where: short stacking energy: -90.292
Base-Backbone interact. energy: -0.107
local terms energy: -106.581916
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -215.977770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.977770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.977770 (E_RNA)
where:
Base-Base interactions energy: -120.047
where: short stacking energy: -63.084
Base-Backbone interact. energy: -1.814
local terms energy: -94.116330
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -18.918
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -192.732491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.732491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.732491 (E_RNA)
where:
Base-Base interactions energy: -79.408
where: short stacking energy: -78.432
Base-Backbone interact. energy: -0.198
local terms energy: -113.126218
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -237.704928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.704928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.704928 (E_RNA)
where:
Base-Base interactions energy: -141.119
where: short stacking energy: -74.313
Base-Backbone interact. energy: -0.342
local terms energy: -96.243451
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -235.616694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.616694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.616694 (E_RNA)
where:
Base-Base interactions energy: -132.077
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.338
local terms energy: -103.202503
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -13.862
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -172.406627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.406627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.406627 (E_RNA)
where:
Base-Base interactions energy: -93.360
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.396
local terms energy: -78.649781
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -131.671098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.671098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.671098 (E_RNA)
where:
Base-Base interactions energy: -55.710
where: short stacking energy: -33.550
Base-Backbone interact. energy: -0.874
local terms energy: -75.086618
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: 3.328
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -120.078857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.078857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.078857 (E_RNA)
where:
Base-Base interactions energy: -45.341
where: short stacking energy: -40.096
Base-Backbone interact. energy: 0.085
local terms energy: -74.822715
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -123.852315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.852315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.852315 (E_RNA)
where:
Base-Base interactions energy: -50.177
where: short stacking energy: -42.259
Base-Backbone interact. energy: -0.454
local terms energy: -73.221665
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -137.554528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.554528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.554528 (E_RNA)
where:
Base-Base interactions energy: -65.973
where: short stacking energy: -44.642
Base-Backbone interact. energy: 1.020
local terms energy: -72.601933
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -224.712949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.712949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.712949 (E_RNA)
where:
Base-Base interactions energy: -136.986
where: short stacking energy: -63.443
Base-Backbone interact. energy: -0.390
local terms energy: -87.336862
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -14.916
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -195.715490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.715490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.715490 (E_RNA)
where:
Base-Base interactions energy: -93.766
where: short stacking energy: -81.890
Base-Backbone interact. energy: -0.166
local terms energy: -101.783626
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -249.472866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.472866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.472866 (E_RNA)
where:
Base-Base interactions energy: -147.575
where: short stacking energy: -82.095
Base-Backbone interact. energy: -0.082
local terms energy: -101.815556
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -20.520
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: 4
Temperature: 1.050000
Total energy: -182.717032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.717032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.717032 (E_RNA)
where:
Base-Base interactions energy: -86.581
where: short stacking energy: -75.463
Base-Backbone interact. energy: -0.146
local terms energy: -95.990134
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -246.100296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.100296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.100296 (E_RNA)
where:
Base-Base interactions energy: -162.228
where: short stacking energy: -78.629
Base-Backbone interact. energy: -0.578
local terms energy: -83.294912
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -25.439
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -17.391
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: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -211.459096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.459096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.459096 (E_RNA)
where:
Base-Base interactions energy: -117.092
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.692
local terms energy: -93.675069
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -16.516
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: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -182.974891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.974891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.974891 (E_RNA)
where:
Base-Base interactions energy: -109.251
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.450
local terms energy: -73.274421
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -138.450859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.450859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.450859 (E_RNA)
where:
Base-Base interactions energy: -51.438
where: short stacking energy: -35.712
Base-Backbone interact. energy: 1.252
local terms energy: -88.264271
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -110.278572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.278572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.278572 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -29.070
Base-Backbone interact. energy: -0.470
local terms energy: -76.052609
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -117.044600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.044600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.044600 (E_RNA)
where:
Base-Base interactions energy: -36.682
where: short stacking energy: -29.681
Base-Backbone interact. energy: -0.334
local terms energy: -80.028412
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -10.454
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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -290.068720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.068720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.068720 (E_RNA)
where:
Base-Base interactions energy: -187.608
where: short stacking energy: -91.523
Base-Backbone interact. energy: -0.227
local terms energy: -102.233532
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -13.445
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -250.112293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.112293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.112293 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -78.646
Base-Backbone interact. energy: -0.348
local terms energy: -105.961649
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -169.929918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.929918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.929918 (E_RNA)
where:
Base-Base interactions energy: -84.126
where: short stacking energy: -61.062
Base-Backbone interact. energy: -1.255
local terms energy: -84.548451
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -268.142511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.142511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.142511 (E_RNA)
where:
Base-Base interactions energy: -173.588
where: short stacking energy: -90.133
Base-Backbone interact. energy: -0.148
local terms energy: -94.406807
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -29.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -217.920255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.920255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.920255 (E_RNA)
where:
Base-Base interactions energy: -127.687
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.111
local terms energy: -90.122723
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -225.004788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.004788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.004788 (E_RNA)
where:
Base-Base interactions energy: -129.374
where: short stacking energy: -70.745
Base-Backbone interact. energy: 2.257
local terms energy: -97.887445
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -212.838516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.838516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.838516 (E_RNA)
where:
Base-Base interactions energy: -124.879
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.101
local terms energy: -87.857848
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -14.214
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: 5
Temperature: 1.250000
Total energy: -131.449261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.449261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.449261 (E_RNA)
where:
Base-Base interactions energy: -55.737
where: short stacking energy: -37.256
Base-Backbone interact. energy: 0.117
local terms energy: -75.829579
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -13.171
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: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -125.365653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.365653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.365653 (E_RNA)
where:
Base-Base interactions energy: -56.448
where: short stacking energy: -47.530
Base-Backbone interact. energy: -0.057
local terms energy: -68.860858
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: 2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -109.728898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.728898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.728898 (E_RNA)
where:
Base-Base interactions energy: -42.360
where: short stacking energy: -40.804
Base-Backbone interact. energy: -0.113
local terms energy: -67.256029
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -304.839232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.839232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.839232 (E_RNA)
where:
Base-Base interactions energy: -202.649
where: short stacking energy: -93.756
Base-Backbone interact. energy: -0.356
local terms energy: -101.834026
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -25.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -257.425639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.425639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.425639 (E_RNA)
where:
Base-Base interactions energy: -161.193
where: short stacking energy: -80.870
Base-Backbone interact. energy: -0.054
local terms energy: -96.178472
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -10.222
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -286.045992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.045992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.045992 (E_RNA)
where:
Base-Base interactions energy: -190.757
where: short stacking energy: -88.594
Base-Backbone interact. energy: -0.586
local terms energy: -94.703266
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -201.178727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.178727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.178727 (E_RNA)
where:
Base-Base interactions energy: -105.850
where: short stacking energy: -74.695
Base-Backbone interact. energy: 0.397
local terms energy: -95.725332
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -16.734
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: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -238.272929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.272929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.272929 (E_RNA)
where:
Base-Base interactions energy: -144.630
where: short stacking energy: -69.137
Base-Backbone interact. energy: 0.111
local terms energy: -93.753794
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -12.938
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: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -226.818875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.818875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.818875 (E_RNA)
where:
Base-Base interactions energy: -139.113
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.631
local terms energy: -87.075449
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -210.499754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.499754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.499754 (E_RNA)
where:
Base-Base interactions energy: -134.227
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.672
local terms energy: -75.600264
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -15.207
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: 6
Temperature: 1.250000
Total energy: -141.313467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.313467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.313467 (E_RNA)
where:
Base-Base interactions energy: -55.611
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.337
local terms energy: -85.365390
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -13.770
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -181.047740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.047740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.047740 (E_RNA)
where:
Base-Base interactions energy: -94.730
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.239
local terms energy: -86.078571
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -140.509518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.509518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.509518 (E_RNA)
where:
Base-Base interactions energy: -69.020
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.518
local terms energy: -70.970864
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -308.294143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.294143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.294143 (E_RNA)
where:
Base-Base interactions energy: -202.093
where: short stacking energy: -99.291
Base-Backbone interact. energy: -0.117
local terms energy: -106.083694
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -26.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -297.226448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.226448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.226448 (E_RNA)
where:
Base-Base interactions energy: -187.999
where: short stacking energy: -98.079
Base-Backbone interact. energy: -0.333
local terms energy: -108.894152
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -248.550613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.550613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.550613 (E_RNA)
where:
Base-Base interactions energy: -146.271
where: short stacking energy: -81.997
Base-Backbone interact. energy: 1.109
local terms energy: -103.389190
where:
bonds (distance) C4'-P energy: -23.155
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -15.539
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: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -284.007813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.007813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.007813 (E_RNA)
where:
Base-Base interactions energy: -174.180
where: short stacking energy: -96.028
Base-Backbone interact. energy: -0.431
local terms energy: -109.397189
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -220.618783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.618783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.618783 (E_RNA)
where:
Base-Base interactions energy: -124.949
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.319
local terms energy: -95.350180
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -17.376
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: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -237.192246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.192246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.192246 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -76.594
Base-Backbone interact. energy: -0.156
local terms energy: -102.026209
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -196.370196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.370196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.370196 (E_RNA)
where:
Base-Base interactions energy: -111.215
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.790
local terms energy: -84.365016
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -175.338349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.338349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.338349 (E_RNA)
where:
Base-Base interactions energy: -105.361
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.152
local terms energy: -69.825400
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -7.584
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: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -166.479854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.479854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.479854 (E_RNA)
where:
Base-Base interactions energy: -85.948
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.128
local terms energy: -80.403536
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -111.644898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.644898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.644898 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -34.774
Base-Backbone interact. energy: -0.749
local terms energy: -75.471305
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -315.191150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.191150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.191150 (E_RNA)
where:
Base-Base interactions energy: -205.320
where: short stacking energy: -91.803
Base-Backbone interact. energy: -0.881
local terms energy: -108.990012
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -27.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -307.207270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.207270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.207270 (E_RNA)
where:
Base-Base interactions energy: -194.732
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.013
local terms energy: -112.462124
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -337.436204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.436204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.436204 (E_RNA)
where:
Base-Base interactions energy: -232.959
where: short stacking energy: -104.129
Base-Backbone interact. energy: -0.087
local terms energy: -104.390336
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -31.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -235.967596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.967596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.967596 (E_RNA)
where:
Base-Base interactions energy: -140.660
where: short stacking energy: -71.958
Base-Backbone interact. energy: 0.146
local terms energy: -95.453582
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -233.191804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.191804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.191804 (E_RNA)
where:
Base-Base interactions energy: -129.508
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.406
local terms energy: -103.277349
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -200.785946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.785946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.785946 (E_RNA)
where:
Base-Base interactions energy: -122.421
where: short stacking energy: -66.941
Base-Backbone interact. energy: 0.184
local terms energy: -78.548241
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -201.936647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.936647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.936647 (E_RNA)
where:
Base-Base interactions energy: -126.002
where: short stacking energy: -54.981
Base-Backbone interact. energy: -0.686
local terms energy: -75.247857
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -187.226743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.226743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.226743 (E_RNA)
where:
Base-Base interactions energy: -112.356
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.775
local terms energy: -74.096106
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -7.939
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: 8
Temperature: 1.300000
Total energy: -121.069521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.069521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.069521 (E_RNA)
where:
Base-Base interactions energy: -48.928
where: short stacking energy: -49.548
Base-Backbone interact. energy: 1.359
local terms energy: -73.500889
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -111.001998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.001998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.001998 (E_RNA)
where:
Base-Base interactions energy: -33.282
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.496
local terms energy: -77.223603
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -336.186762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.186762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.186762 (E_RNA)
where:
Base-Base interactions energy: -220.908
where: short stacking energy: -94.643
Base-Backbone interact. energy: -0.080
local terms energy: -115.198733
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -30.052
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: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -355.193968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.193968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.193968 (E_RNA)
where:
Base-Base interactions energy: -233.932
where: short stacking energy: -101.201
Base-Backbone interact. energy: -0.102
local terms energy: -121.160341
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -30.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -287.337025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.337025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.337025 (E_RNA)
where:
Base-Base interactions energy: -199.188
where: short stacking energy: -86.543
Base-Backbone interact. energy: -0.895
local terms energy: -87.253556
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -245.935497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.935497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.935497 (E_RNA)
where:
Base-Base interactions energy: -147.158
where: short stacking energy: -87.082
Base-Backbone interact. energy: -0.472
local terms energy: -98.305672
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -247.392496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.392496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.392496 (E_RNA)
where:
Base-Base interactions energy: -168.090
where: short stacking energy: -90.510
Base-Backbone interact. energy: 1.642
local terms energy: -80.944097
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -238.937956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.937956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.937956 (E_RNA)
where:
Base-Base interactions energy: -143.201
where: short stacking energy: -77.765
Base-Backbone interact. energy: 0.012
local terms energy: -95.749118
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -199.609981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.609981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.609981 (E_RNA)
where:
Base-Base interactions energy: -111.723
where: short stacking energy: -56.043
Base-Backbone interact. energy: -0.513
local terms energy: -87.374195
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -12.488
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: 8, replica: 2
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -222.664667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.664667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.664667 (E_RNA)
where:
Base-Base interactions energy: -132.435
where: short stacking energy: -66.557
Base-Backbone interact. energy: -0.732
local terms energy: -89.497902
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -111.196329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.196329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.196329 (E_RNA)
where:
Base-Base interactions energy: -32.289
where: short stacking energy: -30.304
Base-Backbone interact. energy: 1.018
local terms energy: -79.926242
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -2.021
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -117.151394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.151394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.151394 (E_RNA)
where:
Base-Base interactions energy: -60.847
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.719
local terms energy: -55.585907
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: 6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -364.771989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.771989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.771989 (E_RNA)
where:
Base-Base interactions energy: -240.757
where: short stacking energy: -117.092
Base-Backbone interact. energy: -0.086
local terms energy: -123.929383
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -26.788
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -31.856
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: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -339.454438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.454438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.454438 (E_RNA)
where:
Base-Base interactions energy: -231.527
where: short stacking energy: -86.952
Base-Backbone interact. energy: -0.525
local terms energy: -107.402539
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -282.385349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.385349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.385349 (E_RNA)
where:
Base-Base interactions energy: -181.818
where: short stacking energy: -85.749
Base-Backbone interact. energy: -0.193
local terms energy: -100.373672
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -250.714047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.714047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.714047 (E_RNA)
where:
Base-Base interactions energy: -158.191
where: short stacking energy: -75.316
Base-Backbone interact. energy: -0.259
local terms energy: -92.263614
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -264.041989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.041989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.041989 (E_RNA)
where:
Base-Base interactions energy: -166.816
where: short stacking energy: -87.574
Base-Backbone interact. energy: -0.095
local terms energy: -97.130888
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -26.150
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: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -235.347560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.347560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.347560 (E_RNA)
where:
Base-Base interactions energy: -144.846
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.171
local terms energy: -90.329758
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -223.418659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.418659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.418659 (E_RNA)
where:
Base-Base interactions energy: -130.284
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.861
local terms energy: -92.273234
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -200.181676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.181676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.181676 (E_RNA)
where:
Base-Base interactions energy: -113.497
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.310
local terms energy: -86.374127
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -13.854
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -115.805444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.805444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.805444 (E_RNA)
where:
Base-Base interactions energy: -52.298
where: short stacking energy: -49.603
Base-Backbone interact. energy: -0.452
local terms energy: -63.055929
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -129.697714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.697714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.697714 (E_RNA)
where:
Base-Base interactions energy: -61.823
where: short stacking energy: -49.103
Base-Backbone interact. energy: -0.334
local terms energy: -67.540858
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -5.903
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: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -373.471042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.471042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.471042 (E_RNA)
where:
Base-Base interactions energy: -254.182
where: short stacking energy: -116.011
Base-Backbone interact. energy: -0.079
local terms energy: -119.210305
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -33.115
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: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -327.590353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.590353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.590353 (E_RNA)
where:
Base-Base interactions energy: -230.583
where: short stacking energy: -98.766
Base-Backbone interact. energy: 1.360
local terms energy: -98.367685
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -29.427
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: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -280.521812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.521812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.521812 (E_RNA)
where:
Base-Base interactions energy: -178.487
where: short stacking energy: -91.103
Base-Backbone interact. energy: -0.169
local terms energy: -101.865217
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -277.826659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.826659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.826659 (E_RNA)
where:
Base-Base interactions energy: -183.768
where: short stacking energy: -76.450
Base-Backbone interact. energy: 0.464
local terms energy: -94.522146
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -24.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -256.842315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.842315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.842315 (E_RNA)
where:
Base-Base interactions energy: -144.697
where: short stacking energy: -80.490
Base-Backbone interact. energy: -0.767
local terms energy: -111.377910
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -205.739475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.739475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.739475 (E_RNA)
where:
Base-Base interactions energy: -114.027
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.183
local terms energy: -91.529812
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -211.002148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.002148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.002148 (E_RNA)
where:
Base-Base interactions energy: -123.572
where: short stacking energy: -51.110
Base-Backbone interact. energy: -0.187
local terms energy: -87.243038
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -7.393
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: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -195.526567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.526567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.526567 (E_RNA)
where:
Base-Base interactions energy: -107.403
where: short stacking energy: -52.478
Base-Backbone interact. energy: -0.695
local terms energy: -87.428661
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -115.677458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.677458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.677458 (E_RNA)
where:
Base-Base interactions energy: -44.125
where: short stacking energy: -23.740
Base-Backbone interact. energy: -0.124
local terms energy: -71.428262
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -127.431714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.431714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.431714 (E_RNA)
where:
Base-Base interactions energy: -53.619
where: short stacking energy: -41.502
Base-Backbone interact. energy: 1.075
local terms energy: -74.888509
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -365.864858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.864858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.864858 (E_RNA)
where:
Base-Base interactions energy: -238.996
where: short stacking energy: -114.074
Base-Backbone interact. energy: -1.122
local terms energy: -125.746611
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -35.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -345.922798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.922798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.922798 (E_RNA)
where:
Base-Base interactions energy: -239.249
where: short stacking energy: -103.077
Base-Backbone interact. energy: -1.521
local terms energy: -105.153236
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -287.780802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.780802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.780802 (E_RNA)
where:
Base-Base interactions energy: -180.010
where: short stacking energy: -85.522
Base-Backbone interact. energy: 1.098
local terms energy: -108.868125
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -257.926690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.926690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.926690 (E_RNA)
where:
Base-Base interactions energy: -156.771
where: short stacking energy: -82.195
Base-Backbone interact. energy: -1.324
local terms energy: -99.831952
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -210.161979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.161979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.161979 (E_RNA)
where:
Base-Base interactions energy: -127.695
where: short stacking energy: -77.983
Base-Backbone interact. energy: 0.230
local terms energy: -82.697553
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -6.851
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: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -225.765178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.765178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.765178 (E_RNA)
where:
Base-Base interactions energy: -136.157
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.149
local terms energy: -89.459646
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -200.312461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.312461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.312461 (E_RNA)
where:
Base-Base interactions energy: -113.453
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.489
local terms energy: -86.370856
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -223.910812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.910812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.910812 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -68.536
Base-Backbone interact. energy: -0.107
local terms energy: -87.916844
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -174.965735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.965735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.965735 (E_RNA)
where:
Base-Base interactions energy: -93.462
where: short stacking energy: -50.570
Base-Backbone interact. energy: -0.069
local terms energy: -81.434813
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -108.882206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.882206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.882206 (E_RNA)
where:
Base-Base interactions energy: -34.187
where: short stacking energy: -33.621
Base-Backbone interact. energy: -0.490
local terms energy: -74.205973
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -378.865283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.865283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.865283 (E_RNA)
where:
Base-Base interactions energy: -254.478
where: short stacking energy: -117.356
Base-Backbone interact. energy: -1.350
local terms energy: -123.036808
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -36.538
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: 13
Temperature: 0.950000
Total energy: -329.864195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.864195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.864195 (E_RNA)
where:
Base-Base interactions energy: -233.765
where: short stacking energy: -95.064
Base-Backbone interact. energy: -0.460
local terms energy: -95.638858
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -294.127999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.127999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.127999 (E_RNA)
where:
Base-Base interactions energy: -190.476
where: short stacking energy: -79.154
Base-Backbone interact. energy: -0.299
local terms energy: -103.352888
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -17.795
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -273.698255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.698255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.698255 (E_RNA)
where:
Base-Base interactions energy: -169.925
where: short stacking energy: -87.765
Base-Backbone interact. energy: 1.325
local terms energy: -105.098028
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -288.913548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.913548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.913548 (E_RNA)
where:
Base-Base interactions energy: -195.552
where: short stacking energy: -85.688
Base-Backbone interact. energy: -0.255
local terms energy: -93.107353
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -214.259572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.259572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.259572 (E_RNA)
where:
Base-Base interactions energy: -123.298
where: short stacking energy: -69.847
Base-Backbone interact. energy: 0.174
local terms energy: -91.135724
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -210.195141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195141 (E_RNA)
where:
Base-Base interactions energy: -125.221
where: short stacking energy: -64.788
Base-Backbone interact. energy: -0.407
local terms energy: -84.566932
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -13.797
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: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -273.305988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.305988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.305988 (E_RNA)
where:
Base-Base interactions energy: -192.711
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.113
local terms energy: -80.482431
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -12.532
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: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -165.611795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.611795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.611795 (E_RNA)
where:
Base-Base interactions energy: -91.258
where: short stacking energy: -49.542
Base-Backbone interact. energy: -0.304
local terms energy: -74.049634
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -187.304272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.304272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.304272 (E_RNA)
where:
Base-Base interactions energy: -99.606
where: short stacking energy: -47.339
Base-Backbone interact. energy: 1.576
local terms energy: -89.274179
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -366.526015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.526015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.526015 (E_RNA)
where:
Base-Base interactions energy: -239.946
where: short stacking energy: -113.048
Base-Backbone interact. energy: -0.747
local terms energy: -125.833001
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -34.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -317.156924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.156924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.156924 (E_RNA)
where:
Base-Base interactions energy: -214.297
where: short stacking energy: -107.001
Base-Backbone interact. energy: 0.372
local terms energy: -103.231262
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -331.543855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.543855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.543855 (E_RNA)
where:
Base-Base interactions energy: -239.203
where: short stacking energy: -90.498
Base-Backbone interact. energy: 0.027
local terms energy: -92.368139
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -24.410
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: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -270.862830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.862830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.862830 (E_RNA)
where:
Base-Base interactions energy: -169.567
where: short stacking energy: -90.013
Base-Backbone interact. energy: -0.134
local terms energy: -101.161259
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -18.085
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: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -264.503274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.503274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.503274 (E_RNA)
where:
Base-Base interactions energy: -168.625
where: short stacking energy: -78.660
Base-Backbone interact. energy: -0.048
local terms energy: -95.830241
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -212.189466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.189466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.189466 (E_RNA)
where:
Base-Base interactions energy: -120.834
where: short stacking energy: -63.601
Base-Backbone interact. energy: -1.213
local terms energy: -90.141825
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -14.058
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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -306.782909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.782909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.782909 (E_RNA)
where:
Base-Base interactions energy: -211.656
where: short stacking energy: -88.754
Base-Backbone interact. energy: -0.687
local terms energy: -94.439328
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -217.010010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.010010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.010010 (E_RNA)
where:
Base-Base interactions energy: -131.124
where: short stacking energy: -73.195
Base-Backbone interact. energy: 0.696
local terms energy: -86.582706
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -215.464781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.464781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.464781 (E_RNA)
where:
Base-Base interactions energy: -133.256
where: short stacking energy: -62.269
Base-Backbone interact. energy: -0.134
local terms energy: -82.074866
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -123.692407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.692407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.692407 (E_RNA)
where:
Base-Base interactions energy: -54.834
where: short stacking energy: -33.821
Base-Backbone interact. energy: -1.187
local terms energy: -67.671359
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -376.740180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.740180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.740180 (E_RNA)
where:
Base-Base interactions energy: -242.296
where: short stacking energy: -122.425
Base-Backbone interact. energy: 1.080
local terms energy: -135.524221
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -323.757061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.757061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.757061 (E_RNA)
where:
Base-Base interactions energy: -214.410
where: short stacking energy: -90.259
Base-Backbone interact. energy: -0.935
local terms energy: -108.412070
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -325.832295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.832295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.832295 (E_RNA)
where:
Base-Base interactions energy: -219.554
where: short stacking energy: -92.078
Base-Backbone interact. energy: 0.388
local terms energy: -106.665697
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -291.766516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.766516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.766516 (E_RNA)
where:
Base-Base interactions energy: -193.281
where: short stacking energy: -90.852
Base-Backbone interact. energy: -1.715
local terms energy: -96.770214
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -19.628
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: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -270.718970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.718970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.718970 (E_RNA)
where:
Base-Base interactions energy: -163.552
where: short stacking energy: -80.582
Base-Backbone interact. energy: -0.311
local terms energy: -106.856116
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -315.474515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.474515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.474515 (E_RNA)
where:
Base-Base interactions energy: -224.460
where: short stacking energy: -94.700
Base-Backbone interact. energy: -0.054
local terms energy: -90.959852
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -207.618532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.618532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.618532 (E_RNA)
where:
Base-Base interactions energy: -108.454
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.629
local terms energy: -98.535216
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -208.632036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.632036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.632036 (E_RNA)
where:
Base-Base interactions energy: -132.902
where: short stacking energy: -61.758
Base-Backbone interact. energy: -0.057
local terms energy: -75.673593
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -190.995819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.995819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.995819 (E_RNA)
where:
Base-Base interactions energy: -99.863
where: short stacking energy: -57.792
Base-Backbone interact. energy: -1.273
local terms energy: -89.860295
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -125.326102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.326102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.326102 (E_RNA)
where:
Base-Base interactions energy: -55.981
where: short stacking energy: -41.123
Base-Backbone interact. energy: 0.254
local terms energy: -69.598763
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -5.362
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: 16
Temperature: 0.900000
Total energy: -346.020225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.020225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.020225 (E_RNA)
where:
Base-Base interactions energy: -235.332
where: short stacking energy: -86.623
Base-Backbone interact. energy: -0.563
local terms energy: -110.125079
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -22.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -368.307288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.307288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.307288 (E_RNA)
where:
Base-Base interactions energy: -254.889
where: short stacking energy: -121.948
Base-Backbone interact. energy: -0.951
local terms energy: -112.467786
where:
bonds (distance) C4'-P energy: -25.450
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -33.482
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -304.575168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.575168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.575168 (E_RNA)
where:
Base-Base interactions energy: -206.422
where: short stacking energy: -80.184
Base-Backbone interact. energy: -0.280
local terms energy: -97.873404
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -317.049679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.049679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.049679 (E_RNA)
where:
Base-Base interactions energy: -204.057
where: short stacking energy: -98.729
Base-Backbone interact. energy: -0.018
local terms energy: -112.975110
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -27.959
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: 16
Temperature: 1.100000
Total energy: -334.830153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.830153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.830153 (E_RNA)
where:
Base-Base interactions energy: -225.325
where: short stacking energy: -95.477
Base-Backbone interact. energy: 1.459
local terms energy: -110.963632
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -19.997
tors. eta vs tors. theta energy: -27.894
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: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -244.747647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.747647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.747647 (E_RNA)
where:
Base-Base interactions energy: -152.730
where: short stacking energy: -72.502
Base-Backbone interact. energy: -1.580
local terms energy: -90.437162
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -13.130
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: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -234.471357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.471357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.471357 (E_RNA)
where:
Base-Base interactions energy: -134.394
where: short stacking energy: -73.088
Base-Backbone interact. energy: -0.035
local terms energy: -100.042776
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -194.416174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.416174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.416174 (E_RNA)
where:
Base-Base interactions energy: -110.629
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.340
local terms energy: -83.447544
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -8.520
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: 1
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -190.816616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.816616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.816616 (E_RNA)
where:
Base-Base interactions energy: -102.023
where: short stacking energy: -64.874
Base-Backbone interact. energy: -0.109
local terms energy: -88.684443
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -8.997
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: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -116.140690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.140690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.140690 (E_RNA)
where:
Base-Base interactions energy: -43.371
where: short stacking energy: -43.063
Base-Backbone interact. energy: 2.754
local terms energy: -75.523673
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -10.245
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: 17
Temperature: 0.900000
Total energy: -346.568340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.568340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.568340 (E_RNA)
where:
Base-Base interactions energy: -225.759
where: short stacking energy: -92.227
Base-Backbone interact. energy: -0.660
local terms energy: -120.149109
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -365.867058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.867058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.867058 (E_RNA)
where:
Base-Base interactions energy: -236.456
where: short stacking energy: -108.411
Base-Backbone interact. energy: -0.029
local terms energy: -129.381772
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -28.362
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -33.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -297.661042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.661042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.661042 (E_RNA)
where:
Base-Base interactions energy: -199.842
where: short stacking energy: -84.919
Base-Backbone interact. energy: -0.298
local terms energy: -97.520694
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -13.761
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: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -341.940146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.940146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.940146 (E_RNA)
where:
Base-Base interactions energy: -240.179
where: short stacking energy: -102.543
Base-Backbone interact. energy: -0.383
local terms energy: -101.378000
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -27.859
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: 17
Temperature: 1.100000
Total energy: -335.592593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.592593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.592593 (E_RNA)
where:
Base-Base interactions energy: -216.879
where: short stacking energy: -81.527
Base-Backbone interact. energy: 0.670
local terms energy: -119.383431
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -25.689
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: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -263.838531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.838531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.838531 (E_RNA)
where:
Base-Base interactions energy: -168.765
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.459
local terms energy: -94.614293
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -247.858820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.858820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.858820 (E_RNA)
where:
Base-Base interactions energy: -154.062
where: short stacking energy: -84.632
Base-Backbone interact. energy: -0.387
local terms energy: -93.409373
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -14.621
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: 8, replica: 1
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -199.010097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.010097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.010097 (E_RNA)
where:
Base-Base interactions energy: -120.449
where: short stacking energy: -51.145
Base-Backbone interact. energy: -1.202
local terms energy: -77.359078
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -191.810018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.810018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.810018 (E_RNA)
where:
Base-Base interactions energy: -103.136
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.334
local terms energy: -88.339973
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -105.469861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469861 (E_RNA)
where:
Base-Base interactions energy: -35.268
where: short stacking energy: -31.513
Base-Backbone interact. energy: -0.195
local terms energy: -70.005942
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: 1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -373.059539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.059539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.059539 (E_RNA)
where:
Base-Base interactions energy: -253.945
where: short stacking energy: -119.352
Base-Backbone interact. energy: -0.013
local terms energy: -119.102123
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -36.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -344.004590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.004590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.004590 (E_RNA)
where:
Base-Base interactions energy: -232.891
where: short stacking energy: -99.154
Base-Backbone interact. energy: -0.479
local terms energy: -110.634629
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -346.078386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.078386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.078386 (E_RNA)
where:
Base-Base interactions energy: -224.869
where: short stacking energy: -95.081
Base-Backbone interact. energy: -0.149
local terms energy: -121.060439
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -26.733
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -26.624
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -279.221895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.221895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.221895 (E_RNA)
where:
Base-Base interactions energy: -176.915
where: short stacking energy: -91.745
Base-Backbone interact. energy: -0.621
local terms energy: -101.685521
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -343.444358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.444358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.444358 (E_RNA)
where:
Base-Base interactions energy: -231.099
where: short stacking energy: -98.353
Base-Backbone interact. energy: -0.403
local terms energy: -111.941828
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -29.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -252.896216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.896216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.896216 (E_RNA)
where:
Base-Base interactions energy: -156.908
where: short stacking energy: -79.111
Base-Backbone interact. energy: -0.410
local terms energy: -95.578538
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -13.998
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: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -213.578157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.578157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.578157 (E_RNA)
where:
Base-Base interactions energy: -127.976
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.332
local terms energy: -85.270606
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -7.570
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: 18
Temperature: 1.250000
Total energy: -241.653270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.653270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.653270 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.745
local terms energy: -85.836138
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -234.906407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.906407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.906407 (E_RNA)
where:
Base-Base interactions energy: -155.108
where: short stacking energy: -63.226
Base-Backbone interact. energy: -1.562
local terms energy: -78.236494
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -8.506
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -120.743334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.743334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.743334 (E_RNA)
where:
Base-Base interactions energy: -49.186
where: short stacking energy: -26.305
Base-Backbone interact. energy: -1.470
local terms energy: -70.087129
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: 4.267
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: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -366.897018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.897018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.897018 (E_RNA)
where:
Base-Base interactions energy: -239.116
where: short stacking energy: -112.784
Base-Backbone interact. energy: -0.103
local terms energy: -127.678309
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -36.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -347.530194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.530194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.530194 (E_RNA)
where:
Base-Base interactions energy: -237.921
where: short stacking energy: -102.050
Base-Backbone interact. energy: -0.056
local terms energy: -109.553325
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -318.877191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.877191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.877191 (E_RNA)
where:
Base-Base interactions energy: -211.995
where: short stacking energy: -92.648
Base-Backbone interact. energy: -0.939
local terms energy: -105.943139
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -357.759091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.759091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.759091 (E_RNA)
where:
Base-Base interactions energy: -245.458
where: short stacking energy: -99.331
Base-Backbone interact. energy: -0.140
local terms energy: -112.161125
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -29.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -280.078510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.078510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.078510 (E_RNA)
where:
Base-Base interactions energy: -180.325
where: short stacking energy: -76.330
Base-Backbone interact. energy: -1.773
local terms energy: -97.980666
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -18.413
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: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -242.808930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.808930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.808930 (E_RNA)
where:
Base-Base interactions energy: -162.972
where: short stacking energy: -80.358
Base-Backbone interact. energy: 1.937
local terms energy: -81.773560
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -190.964129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.964129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.964129 (E_RNA)
where:
Base-Base interactions energy: -108.719
where: short stacking energy: -69.373
Base-Backbone interact. energy: -0.250
local terms energy: -81.994992
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -248.025673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.025673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.025673 (E_RNA)
where:
Base-Base interactions energy: -159.045
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.128
local terms energy: -88.852709
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -15.894
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: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -231.453830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.453830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.453830 (E_RNA)
where:
Base-Base interactions energy: -161.372
where: short stacking energy: -74.465
Base-Backbone interact. energy: 2.641
local terms energy: -72.723092
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -18.606
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -105.747551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.747551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.747551 (E_RNA)
where:
Base-Base interactions energy: -42.552
where: short stacking energy: -40.022
Base-Backbone interact. energy: -0.677
local terms energy: -62.518379
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -367.650715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.650715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.650715 (E_RNA)
where:
Base-Base interactions energy: -253.074
where: short stacking energy: -125.946
Base-Backbone interact. energy: -0.180
local terms energy: -114.396402
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -30.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -369.480502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.480502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.480502 (E_RNA)
where:
Base-Base interactions energy: -258.554
where: short stacking energy: -104.364
Base-Backbone interact. energy: -0.123
local terms energy: -110.802914
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -33.988
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: 20
Temperature: 1.000000
Total energy: -363.901726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.901726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.901726 (E_RNA)
where:
Base-Base interactions energy: -243.531
where: short stacking energy: -102.577
Base-Backbone interact. energy: -0.319
local terms energy: -120.051719
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -33.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -324.478922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.478922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.478922 (E_RNA)
where:
Base-Base interactions energy: -215.234
where: short stacking energy: -101.112
Base-Backbone interact. energy: 0.498
local terms energy: -109.743163
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -258.559431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.559431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.559431 (E_RNA)
where:
Base-Base interactions energy: -163.281
where: short stacking energy: -81.456
Base-Backbone interact. energy: -0.148
local terms energy: -95.130587
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -266.820280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.820280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.820280 (E_RNA)
where:
Base-Base interactions energy: -181.540
where: short stacking energy: -85.617
Base-Backbone interact. energy: 0.131
local terms energy: -85.411430
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -16.568
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: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -231.387271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.387271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.387271 (E_RNA)
where:
Base-Base interactions energy: -146.523
where: short stacking energy: -71.602
Base-Backbone interact. energy: -0.844
local terms energy: -84.020075
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -209.505313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.505313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.505313 (E_RNA)
where:
Base-Base interactions energy: -128.676
where: short stacking energy: -69.421
Base-Backbone interact. energy: 0.036
local terms energy: -80.864952
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -197.789475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.789475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.789475 (E_RNA)
where:
Base-Base interactions energy: -111.706
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.185
local terms energy: -85.898415
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -9.359
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: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -112.042867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.042867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.042867 (E_RNA)
where:
Base-Base interactions energy: -49.595
where: short stacking energy: -29.655
Base-Backbone interact. energy: 1.313
local terms energy: -63.761310
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -8.162
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: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -375.815125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.815125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.815125 (E_RNA)
where:
Base-Base interactions energy: -252.995
where: short stacking energy: -121.386
Base-Backbone interact. energy: -0.003
local terms energy: -122.817286
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -35.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -371.817393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.817393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.817393 (E_RNA)
where:
Base-Base interactions energy: -256.521
where: short stacking energy: -109.335
Base-Backbone interact. energy: -0.368
local terms energy: -114.928492
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -32.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -380.055951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.055951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.055951 (E_RNA)
where:
Base-Base interactions energy: -276.536
where: short stacking energy: -116.699
Base-Backbone interact. energy: 0.586
local terms energy: -104.106565
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -31.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -345.993942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.993942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.993942 (E_RNA)
where:
Base-Base interactions energy: -232.263
where: short stacking energy: -105.031
Base-Backbone interact. energy: -0.160
local terms energy: -113.570687
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -34.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -275.052774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.052774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.052774 (E_RNA)
where:
Base-Base interactions energy: -179.761
where: short stacking energy: -88.031
Base-Backbone interact. energy: -0.097
local terms energy: -95.195088
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -263.575224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.575224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.575224 (E_RNA)
where:
Base-Base interactions energy: -164.999
where: short stacking energy: -75.791
Base-Backbone interact. energy: -0.387
local terms energy: -98.189129
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -13.133
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: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -272.623006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.623006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.623006 (E_RNA)
where:
Base-Base interactions energy: -180.348
where: short stacking energy: -78.083
Base-Backbone interact. energy: 0.650
local terms energy: -92.925022
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -15.905
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: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -225.768516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.768516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.768516 (E_RNA)
where:
Base-Base interactions energy: -140.235
where: short stacking energy: -60.310
Base-Backbone interact. energy: 0.782
local terms energy: -86.314734
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -6.922
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: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -202.988016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.988016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.988016 (E_RNA)
where:
Base-Base interactions energy: -123.501
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.284
local terms energy: -79.203168
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -13.936
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: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -122.370694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.370694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.370694 (E_RNA)
where:
Base-Base interactions energy: -47.492
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.174
local terms energy: -74.705264
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -374.727906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.727906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.727906 (E_RNA)
where:
Base-Base interactions energy: -251.539
where: short stacking energy: -127.662
Base-Backbone interact. energy: -0.085
local terms energy: -123.104283
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -37.640
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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -368.570466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.570466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.570466 (E_RNA)
where:
Base-Base interactions energy: -255.338
where: short stacking energy: -90.411
Base-Backbone interact. energy: -0.931
local terms energy: -112.301435
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -33.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -363.948589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.948589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.948589 (E_RNA)
where:
Base-Base interactions energy: -249.322
where: short stacking energy: -102.207
Base-Backbone interact. energy: 1.046
local terms energy: -115.673304
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -32.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -388.234192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.234192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.234192 (E_RNA)
where:
Base-Base interactions energy: -274.197
where: short stacking energy: -116.316
Base-Backbone interact. energy: -0.010
local terms energy: -114.027391
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -32.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -247.382659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.382659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.382659 (E_RNA)
where:
Base-Base interactions energy: -147.244
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.327
local terms energy: -99.811558
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -272.778172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.778172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.778172 (E_RNA)
where:
Base-Base interactions energy: -169.638
where: short stacking energy: -77.786
Base-Backbone interact. energy: -0.345
local terms energy: -102.794819
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -262.071753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.071753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.071753 (E_RNA)
where:
Base-Base interactions energy: -167.162
where: short stacking energy: -68.081
Base-Backbone interact. energy: 0.433
local terms energy: -95.343097
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -15.016
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: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -209.615153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.615153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.615153 (E_RNA)
where:
Base-Base interactions energy: -128.636
where: short stacking energy: -58.789
Base-Backbone interact. energy: -0.203
local terms energy: -80.776112
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -117.901515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.901515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.901515 (E_RNA)
where:
Base-Base interactions energy: -41.700
where: short stacking energy: -31.727
Base-Backbone interact. energy: -0.992
local terms energy: -75.209223
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -2.115
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: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -168.244455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.244455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.244455 (E_RNA)
where:
Base-Base interactions energy: -98.558
where: short stacking energy: -42.217
Base-Backbone interact. energy: -0.898
local terms energy: -68.789036
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -376.191823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.191823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.191823 (E_RNA)
where:
Base-Base interactions energy: -248.594
where: short stacking energy: -117.462
Base-Backbone interact. energy: -0.001
local terms energy: -127.597145
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -36.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -377.120886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.120886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.120886 (E_RNA)
where:
Base-Base interactions energy: -253.492
where: short stacking energy: -115.175
Base-Backbone interact. energy: -0.012
local terms energy: -123.616620
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -36.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -367.647071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.647071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.647071 (E_RNA)
where:
Base-Base interactions energy: -254.625
where: short stacking energy: -107.281
Base-Backbone interact. energy: -0.307
local terms energy: -112.715241
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -381.753607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.753607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.753607 (E_RNA)
where:
Base-Base interactions energy: -264.415
where: short stacking energy: -101.173
Base-Backbone interact. energy: -0.023
local terms energy: -117.316413
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -34.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -258.781874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.781874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.781874 (E_RNA)
where:
Base-Base interactions energy: -164.671
where: short stacking energy: -73.565
Base-Backbone interact. energy: 0.326
local terms energy: -94.436451
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -13.855
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: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -269.649527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.649527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.649527 (E_RNA)
where:
Base-Base interactions energy: -180.684
where: short stacking energy: -80.061
Base-Backbone interact. energy: -0.485
local terms energy: -88.479868
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -275.858608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.858608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.858608 (E_RNA)
where:
Base-Base interactions energy: -176.669
where: short stacking energy: -82.396
Base-Backbone interact. energy: -0.024
local terms energy: -99.165471
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -133.986868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.986868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.986868 (E_RNA)
where:
Base-Base interactions energy: -51.642
where: short stacking energy: -43.052
Base-Backbone interact. energy: 0.224
local terms energy: -82.568944
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -184.131647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.131647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.131647 (E_RNA)
where:
Base-Base interactions energy: -113.395
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.410
local terms energy: -70.326735
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -177.586584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.586584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.586584 (E_RNA)
where:
Base-Base interactions energy: -106.482
where: short stacking energy: -50.818
Base-Backbone interact. energy: 1.229
local terms energy: -72.333652
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -383.489189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.489189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.489189 (E_RNA)
where:
Base-Base interactions energy: -266.037
where: short stacking energy: -115.155
Base-Backbone interact. energy: -0.070
local terms energy: -117.382508
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -31.496
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: 24
Temperature: 0.950000
Total energy: -347.922028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.922028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.922028 (E_RNA)
where:
Base-Base interactions energy: -225.667
where: short stacking energy: -105.433
Base-Backbone interact. energy: -0.081
local terms energy: -122.173634
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -35.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -388.815377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.815377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.815377 (E_RNA)
where:
Base-Base interactions energy: -279.028
where: short stacking energy: -109.306
Base-Backbone interact. energy: -0.220
local terms energy: -109.566857
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -36.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -351.171228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.171228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.171228 (E_RNA)
where:
Base-Base interactions energy: -249.482
where: short stacking energy: -103.860
Base-Backbone interact. energy: -0.356
local terms energy: -101.333799
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -28.919
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: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -276.845748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.845748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.845748 (E_RNA)
where:
Base-Base interactions energy: -169.222
where: short stacking energy: -89.302
Base-Backbone interact. energy: -0.380
local terms energy: -107.243375
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -244.092740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.092740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.092740 (E_RNA)
where:
Base-Base interactions energy: -153.975
where: short stacking energy: -77.449
Base-Backbone interact. energy: -0.897
local terms energy: -89.220844
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -12.014
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: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -244.961172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.961172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.961172 (E_RNA)
where:
Base-Base interactions energy: -151.672
where: short stacking energy: -70.480
Base-Backbone interact. energy: -1.146
local terms energy: -92.143423
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -134.821859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.821859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.821859 (E_RNA)
where:
Base-Base interactions energy: -64.038
where: short stacking energy: -47.991
Base-Backbone interact. energy: -0.215
local terms energy: -70.568860
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -176.000434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.000434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.000434 (E_RNA)
where:
Base-Base interactions energy: -97.058
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.992
local terms energy: -77.949820
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -173.140411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.140411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.140411 (E_RNA)
where:
Base-Base interactions energy: -102.212
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.122
local terms energy: -70.806108
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -366.410290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.410290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.410290 (E_RNA)
where:
Base-Base interactions energy: -247.989
where: short stacking energy: -111.294
Base-Backbone interact. energy: -0.023
local terms energy: -118.397963
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -401.883999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.883999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.883999 (E_RNA)
where:
Base-Base interactions energy: -283.320
where: short stacking energy: -108.537
Base-Backbone interact. energy: -0.026
local terms energy: -118.537697
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -30.493
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: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -352.302575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.302575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.302575 (E_RNA)
where:
Base-Base interactions energy: -233.863
where: short stacking energy: -112.867
Base-Backbone interact. energy: -0.593
local terms energy: -117.846787
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -35.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -342.665964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.665964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.665964 (E_RNA)
where:
Base-Base interactions energy: -227.863
where: short stacking energy: -97.037
Base-Backbone interact. energy: -0.251
local terms energy: -114.552489
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -32.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -292.123008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.123008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.123008 (E_RNA)
where:
Base-Base interactions energy: -198.373
where: short stacking energy: -83.992
Base-Backbone interact. energy: 0.007
local terms energy: -93.756873
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -9.660
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: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -250.513524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.513524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.513524 (E_RNA)
where:
Base-Base interactions energy: -151.795
where: short stacking energy: -92.185
Base-Backbone interact. energy: -0.295
local terms energy: -98.424230
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -250.731584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.731584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.731584 (E_RNA)
where:
Base-Base interactions energy: -165.571
where: short stacking energy: -80.653
Base-Backbone interact. energy: -0.591
local terms energy: -84.568720
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -190.875706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.875706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.875706 (E_RNA)
where:
Base-Base interactions energy: -113.134
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.135
local terms energy: -77.606919
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -16.778
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: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -131.922487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.922487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.922487 (E_RNA)
where:
Base-Base interactions energy: -60.676
where: short stacking energy: -51.206
Base-Backbone interact. energy: 1.055
local terms energy: -72.301578
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -118.357115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.357115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.357115 (E_RNA)
where:
Base-Base interactions energy: -52.421
where: short stacking energy: -20.514
Base-Backbone interact. energy: -1.302
local terms energy: -64.633604
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -13.065
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: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -410.444493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.444493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.444493 (E_RNA)
where:
Base-Base interactions energy: -287.836
where: short stacking energy: -113.290
Base-Backbone interact. energy: -0.045
local terms energy: -122.562633
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -34.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -368.242351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.242351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.242351 (E_RNA)
where:
Base-Base interactions energy: -263.043
where: short stacking energy: -110.347
Base-Backbone interact. energy: -0.043
local terms energy: -105.155917
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -30.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -372.234606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.234606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.234606 (E_RNA)
where:
Base-Base interactions energy: -257.449
where: short stacking energy: -116.345
Base-Backbone interact. energy: -0.343
local terms energy: -114.442262
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -34.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -345.871532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.871532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.871532 (E_RNA)
where:
Base-Base interactions energy: -230.443
where: short stacking energy: -104.578
Base-Backbone interact. energy: -0.094
local terms energy: -115.334943
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -29.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -290.462543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.462543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.462543 (E_RNA)
where:
Base-Base interactions energy: -190.975
where: short stacking energy: -93.048
Base-Backbone interact. energy: -0.047
local terms energy: -99.440401
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -22.357
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: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -255.104523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.104523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.104523 (E_RNA)
where:
Base-Base interactions energy: -157.401
where: short stacking energy: -79.996
Base-Backbone interact. energy: -0.217
local terms energy: -97.486182
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -263.666424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.666424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.666424 (E_RNA)
where:
Base-Base interactions energy: -169.386
where: short stacking energy: -72.728
Base-Backbone interact. energy: -0.989
local terms energy: -93.291531
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -194.970085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.970085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.970085 (E_RNA)
where:
Base-Base interactions energy: -116.500
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.437
local terms energy: -78.033259
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -16.121
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: 26
Temperature: 1.300000
Total energy: -141.322898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.322898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.322898 (E_RNA)
where:
Base-Base interactions energy: -75.760
where: short stacking energy: -50.177
Base-Backbone interact. energy: -0.156
local terms energy: -65.406650
where:
bonds (distance) C4'-P energy: -8.738
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -116.919002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.919002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.919002 (E_RNA)
where:
Base-Base interactions energy: -52.819
where: short stacking energy: -24.274
Base-Backbone interact. energy: -0.571
local terms energy: -63.529202
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -12.965
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: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -404.619751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.619751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.619751 (E_RNA)
where:
Base-Base interactions energy: -289.079
where: short stacking energy: -111.749
Base-Backbone interact. energy: 0.522
local terms energy: -116.063206
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -32.693
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: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -384.378545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.378545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.378545 (E_RNA)
where:
Base-Base interactions energy: -263.366
where: short stacking energy: -115.050
Base-Backbone interact. energy: -0.129
local terms energy: -120.883559
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -35.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -365.840837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.840837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.840837 (E_RNA)
where:
Base-Base interactions energy: -250.289
where: short stacking energy: -102.896
Base-Backbone interact. energy: 0.181
local terms energy: -115.733005
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -25.405
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -31.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -297.536647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.536647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.536647 (E_RNA)
where:
Base-Base interactions energy: -191.980
where: short stacking energy: -82.424
Base-Backbone interact. energy: 0.670
local terms energy: -106.226445
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -17.896
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: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -352.434344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.434344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.434344 (E_RNA)
where:
Base-Base interactions energy: -249.051
where: short stacking energy: -106.049
Base-Backbone interact. energy: -0.095
local terms energy: -103.288541
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -30.334
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: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -254.414486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.414486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.414486 (E_RNA)
where:
Base-Base interactions energy: -158.472
where: short stacking energy: -69.082
Base-Backbone interact. energy: -0.297
local terms energy: -95.645157
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -256.977150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.977150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.977150 (E_RNA)
where:
Base-Base interactions energy: -166.303
where: short stacking energy: -71.449
Base-Backbone interact. energy: -0.336
local terms energy: -90.337615
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -126.041772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.041772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.041772 (E_RNA)
where:
Base-Base interactions energy: -53.656
where: short stacking energy: -36.215
Base-Backbone interact. energy: 0.229
local terms energy: -72.614677
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -120.373752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.373752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.373752 (E_RNA)
where:
Base-Base interactions energy: -49.704
where: short stacking energy: -29.419
Base-Backbone interact. energy: 0.114
local terms energy: -70.782986
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -115.831808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.831808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.831808 (E_RNA)
where:
Base-Base interactions energy: -51.479
where: short stacking energy: -23.730
Base-Backbone interact. energy: 1.605
local terms energy: -65.957386
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: 3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -403.500489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.500489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.500489 (E_RNA)
where:
Base-Base interactions energy: -296.711
where: short stacking energy: -111.189
Base-Backbone interact. energy: -0.396
local terms energy: -106.393628
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -30.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -368.738746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.738746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.738746 (E_RNA)
where:
Base-Base interactions energy: -248.438
where: short stacking energy: -115.929
Base-Backbone interact. energy: 0.324
local terms energy: -120.625447
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -33.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -369.555576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.555576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.555576 (E_RNA)
where:
Base-Base interactions energy: -249.337
where: short stacking energy: -110.872
Base-Backbone interact. energy: -0.002
local terms energy: -120.216963
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -300.291572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.291572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.291572 (E_RNA)
where:
Base-Base interactions energy: -205.814
where: short stacking energy: -85.319
Base-Backbone interact. energy: -0.542
local terms energy: -93.935212
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -13.260
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: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -332.976001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.976001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.976001 (E_RNA)
where:
Base-Base interactions energy: -230.731
where: short stacking energy: -90.589
Base-Backbone interact. energy: 0.612
local terms energy: -102.856847
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -30.976
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: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -264.631847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.631847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.631847 (E_RNA)
where:
Base-Base interactions energy: -166.382
where: short stacking energy: -85.283
Base-Backbone interact. energy: -0.020
local terms energy: -98.229582
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -22.833
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: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -293.236238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.236238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.236238 (E_RNA)
where:
Base-Base interactions energy: -196.319
where: short stacking energy: -90.280
Base-Backbone interact. energy: -0.420
local terms energy: -96.497619
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -16.478
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: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -135.835586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.835586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.835586 (E_RNA)
where:
Base-Base interactions energy: -68.270
where: short stacking energy: -41.015
Base-Backbone interact. energy: -0.359
local terms energy: -67.205827
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -117.791556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.791556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.791556 (E_RNA)
where:
Base-Base interactions energy: -43.454
where: short stacking energy: -43.454
Base-Backbone interact. energy: 0.208
local terms energy: -74.545790
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -106.435120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.435120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.435120 (E_RNA)
where:
Base-Base interactions energy: -49.276
where: short stacking energy: -38.798
Base-Backbone interact. energy: 1.873
local terms energy: -59.032009
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -406.698663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.698663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.698663 (E_RNA)
where:
Base-Base interactions energy: -290.651
where: short stacking energy: -110.670
Base-Backbone interact. energy: -0.239
local terms energy: -115.808564
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -33.868
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: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -380.142052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.142052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.142052 (E_RNA)
where:
Base-Base interactions energy: -258.504
where: short stacking energy: -109.977
Base-Backbone interact. energy: -1.442
local terms energy: -120.195951
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -33.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -349.472987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.472987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.472987 (E_RNA)
where:
Base-Base interactions energy: -226.854
where: short stacking energy: -107.431
Base-Backbone interact. energy: -0.002
local terms energy: -122.616671
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -24.479
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -355.747567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.747567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.747567 (E_RNA)
where:
Base-Base interactions energy: -247.272
where: short stacking energy: -107.398
Base-Backbone interact. energy: -0.373
local terms energy: -108.102004
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -29.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -292.351068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.351068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.351068 (E_RNA)
where:
Base-Base interactions energy: -192.036
where: short stacking energy: -93.740
Base-Backbone interact. energy: -0.600
local terms energy: -99.715505
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -10.119
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: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -308.657290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.657290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.657290 (E_RNA)
where:
Base-Base interactions energy: -203.871
where: short stacking energy: -77.384
Base-Backbone interact. energy: 0.152
local terms energy: -104.938381
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -20.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -272.251159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.251159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.251159 (E_RNA)
where:
Base-Base interactions energy: -178.840
where: short stacking energy: -97.144
Base-Backbone interact. energy: -0.057
local terms energy: -93.353670
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -15.435
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: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -142.636618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.636618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.636618 (E_RNA)
where:
Base-Base interactions energy: -60.501
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.215
local terms energy: -81.921526
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -132.930455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.930455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.930455 (E_RNA)
where:
Base-Base interactions energy: -58.130
where: short stacking energy: -30.049
Base-Backbone interact. energy: -0.740
local terms energy: -74.059991
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: 6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -115.812991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.812991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.812991 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.449
local terms energy: -78.947980
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -389.178498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.178498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.178498 (E_RNA)
where:
Base-Base interactions energy: -271.413
where: short stacking energy: -124.599
Base-Backbone interact. energy: 0.891
local terms energy: -118.656564
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -32.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -401.507784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.507784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.507784 (E_RNA)
where:
Base-Base interactions energy: -279.715
where: short stacking energy: -109.134
Base-Backbone interact. energy: -0.090
local terms energy: -121.702862
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -34.681
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: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -376.275595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.275595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.275595 (E_RNA)
where:
Base-Base interactions energy: -258.023
where: short stacking energy: -108.339
Base-Backbone interact. energy: -0.156
local terms energy: -118.095697
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -339.542936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.542936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.542936 (E_RNA)
where:
Base-Base interactions energy: -234.812
where: short stacking energy: -114.960
Base-Backbone interact. energy: -0.395
local terms energy: -104.335838
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -33.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -301.759289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.759289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.759289 (E_RNA)
where:
Base-Base interactions energy: -206.718
where: short stacking energy: -95.630
Base-Backbone interact. energy: -0.016
local terms energy: -95.025082
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -306.237193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.237193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.237193 (E_RNA)
where:
Base-Base interactions energy: -203.454
where: short stacking energy: -80.488
Base-Backbone interact. energy: 0.150
local terms energy: -102.933195
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -266.158559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.158559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.158559 (E_RNA)
where:
Base-Base interactions energy: -164.118
where: short stacking energy: -73.037
Base-Backbone interact. energy: -0.491
local terms energy: -101.549058
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -134.808572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.808572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.808572 (E_RNA)
where:
Base-Base interactions energy: -55.449
where: short stacking energy: -39.647
Base-Backbone interact. energy: -0.112
local terms energy: -79.248366
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -117.450796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.450796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.450796 (E_RNA)
where:
Base-Base interactions energy: -44.858
where: short stacking energy: -39.696
Base-Backbone interact. energy: -0.206
local terms energy: -72.387426
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -116.460205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.460205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.460205 (E_RNA)
where:
Base-Base interactions energy: -48.045
where: short stacking energy: -27.395
Base-Backbone interact. energy: 0.766
local terms energy: -69.181024
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -11.519
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: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -385.987420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.987420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.987420 (E_RNA)
where:
Base-Base interactions energy: -265.640
where: short stacking energy: -120.553
Base-Backbone interact. energy: -0.008
local terms energy: -120.339746
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -36.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -403.754360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.754360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.754360 (E_RNA)
where:
Base-Base interactions energy: -273.996
where: short stacking energy: -107.070
Base-Backbone interact. energy: -0.488
local terms energy: -129.270396
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -35.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -389.137802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.137802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.137802 (E_RNA)
where:
Base-Base interactions energy: -265.782
where: short stacking energy: -110.156
Base-Backbone interact. energy: -0.850
local terms energy: -122.505792
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -33.147
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: 31
Temperature: 1.050000
Total energy: -349.354363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.354363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.354363 (E_RNA)
where:
Base-Base interactions energy: -232.165
where: short stacking energy: -105.841
Base-Backbone interact. energy: -0.695
local terms energy: -116.494261
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -27.093
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -33.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -283.938560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.938560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.938560 (E_RNA)
where:
Base-Base interactions energy: -188.054
where: short stacking energy: -80.992
Base-Backbone interact. energy: -0.139
local terms energy: -95.746154
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -15.587
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: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -291.608723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.608723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.608723 (E_RNA)
where:
Base-Base interactions energy: -188.173
where: short stacking energy: -80.956
Base-Backbone interact. energy: -0.298
local terms energy: -103.137904
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -26.771
flat angles P-C4'-P energy: -15.082
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -247.540851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.540851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.540851 (E_RNA)
where:
Base-Base interactions energy: -142.540
where: short stacking energy: -75.031
Base-Backbone interact. energy: -0.228
local terms energy: -104.772991
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -20.175
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: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -136.096435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.096435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.096435 (E_RNA)
where:
Base-Base interactions energy: -63.357
where: short stacking energy: -40.773
Base-Backbone interact. energy: 0.886
local terms energy: -73.625849
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: 2.523
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: 31
Temperature: 1.300000
Total energy: -147.398086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.398086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.398086 (E_RNA)
where:
Base-Base interactions energy: -81.020
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.392
local terms energy: -65.985745
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -2.686
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -165.910915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.910915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.910915 (E_RNA)
where:
Base-Base interactions energy: -98.828
where: short stacking energy: -63.609
Base-Backbone interact. energy: 0.389
local terms energy: -67.472370
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -12.886
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: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -398.370243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.370243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.370243 (E_RNA)
where:
Base-Base interactions energy: -290.079
where: short stacking energy: -121.233
Base-Backbone interact. energy: -0.016
local terms energy: -108.275186
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -33.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -389.781087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.781087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.781087 (E_RNA)
where:
Base-Base interactions energy: -256.132
where: short stacking energy: -115.435
Base-Backbone interact. energy: -1.358
local terms energy: -132.290925
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -27.640
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -35.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -383.081075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.081075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.081075 (E_RNA)
where:
Base-Base interactions energy: -260.474
where: short stacking energy: -121.398
Base-Backbone interact. energy: -0.028
local terms energy: -122.578976
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -33.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -356.755406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.755406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.755406 (E_RNA)
where:
Base-Base interactions energy: -237.537
where: short stacking energy: -99.162
Base-Backbone interact. energy: -1.148
local terms energy: -118.070030
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -29.149
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: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -323.979440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.979440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.979440 (E_RNA)
where:
Base-Base interactions energy: -216.206
where: short stacking energy: -91.023
Base-Backbone interact. energy: -0.807
local terms energy: -106.966199
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -24.801
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: 32
Temperature: 1.150000
Total energy: -289.120238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.120238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.120238 (E_RNA)
where:
Base-Base interactions energy: -176.206
where: short stacking energy: -80.887
Base-Backbone interact. energy: -0.731
local terms energy: -112.183520
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -29.457
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -234.941274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.941274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.941274 (E_RNA)
where:
Base-Base interactions energy: -152.581
where: short stacking energy: -69.327
Base-Backbone interact. energy: 2.713
local terms energy: -85.073156
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -8.712
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: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -148.644203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.644203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.644203 (E_RNA)
where:
Base-Base interactions energy: -57.673
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.452
local terms energy: -90.519278
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -168.669487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.669487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.669487 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -47.276
Base-Backbone interact. energy: -1.468
local terms energy: -66.249232
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -108.993191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.993191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.993191 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -39.957
Base-Backbone interact. energy: -1.545
local terms energy: -68.491653
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: 2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -412.323401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.323401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.323401 (E_RNA)
where:
Base-Base interactions energy: -287.507
where: short stacking energy: -119.852
Base-Backbone interact. energy: -0.113
local terms energy: -124.703583
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -27.905
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -33.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -374.689555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.689555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.689555 (E_RNA)
where:
Base-Base interactions energy: -260.447
where: short stacking energy: -109.264
Base-Backbone interact. energy: -0.006
local terms energy: -114.236889
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -35.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -377.884627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.884627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.884627 (E_RNA)
where:
Base-Base interactions energy: -264.016
where: short stacking energy: -109.520
Base-Backbone interact. energy: -1.930
local terms energy: -111.938586
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -35.439
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: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -343.491523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.491523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.491523 (E_RNA)
where:
Base-Base interactions energy: -223.872
where: short stacking energy: -110.833
Base-Backbone interact. energy: -0.776
local terms energy: -118.843408
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -34.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -317.659347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.659347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.659347 (E_RNA)
where:
Base-Base interactions energy: -213.109
where: short stacking energy: -80.857
Base-Backbone interact. energy: -0.328
local terms energy: -104.222329
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -287.198659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.198659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.198659 (E_RNA)
where:
Base-Base interactions energy: -191.324
where: short stacking energy: -83.664
Base-Backbone interact. energy: 0.087
local terms energy: -95.961879
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -261.297027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.297027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.297027 (E_RNA)
where:
Base-Base interactions energy: -178.904
where: short stacking energy: -72.089
Base-Backbone interact. energy: -1.611
local terms energy: -80.781267
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -180.622059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.622059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.622059 (E_RNA)
where:
Base-Base interactions energy: -100.776
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.430
local terms energy: -79.416061
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -146.019850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.019850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.019850 (E_RNA)
where:
Base-Base interactions energy: -82.181
where: short stacking energy: -38.179
Base-Backbone interact. energy: -0.067
local terms energy: -63.772210
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -111.802785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.802785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.802785 (E_RNA)
where:
Base-Base interactions energy: -49.233
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.226
local terms energy: -62.344231
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: 2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -420.974826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.974826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.974826 (E_RNA)
where:
Base-Base interactions energy: -289.279
where: short stacking energy: -119.550
Base-Backbone interact. energy: -0.482
local terms energy: -131.213825
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -25.919
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: -36.340
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -377.941324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.941324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.941324 (E_RNA)
where:
Base-Base interactions energy: -263.828
where: short stacking energy: -110.027
Base-Backbone interact. energy: -0.028
local terms energy: -114.084501
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -31.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -377.993850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.993850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.993850 (E_RNA)
where:
Base-Base interactions energy: -258.988
where: short stacking energy: -102.432
Base-Backbone interact. energy: 1.462
local terms energy: -120.467435
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -32.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -346.919927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.919927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.919927 (E_RNA)
where:
Base-Base interactions energy: -225.895
where: short stacking energy: -108.280
Base-Backbone interact. energy: -0.035
local terms energy: -120.989802
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -31.647
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: 34
Temperature: 1.100000
Total energy: -309.601512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.601512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.601512 (E_RNA)
where:
Base-Base interactions energy: -210.916
where: short stacking energy: -93.471
Base-Backbone interact. energy: -0.896
local terms energy: -97.790186
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -288.806444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.806444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.806444 (E_RNA)
where:
Base-Base interactions energy: -206.138
where: short stacking energy: -90.435
Base-Backbone interact. energy: -0.360
local terms energy: -82.308147
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -14.880
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: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -237.039820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.039820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.039820 (E_RNA)
where:
Base-Base interactions energy: -163.977
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.580
local terms energy: -72.482870
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -179.915303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.915303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.915303 (E_RNA)
where:
Base-Base interactions energy: -98.235
where: short stacking energy: -51.888
Base-Backbone interact. energy: -0.165
local terms energy: -81.515260
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -121.591705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.591705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.591705 (E_RNA)
where:
Base-Base interactions energy: -42.930
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.307
local terms energy: -78.354289
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -17.152
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: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -116.670754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.670754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.670754 (E_RNA)
where:
Base-Base interactions energy: -54.249
where: short stacking energy: -27.088
Base-Backbone interact. energy: 0.961
local terms energy: -63.382836
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -9.718
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: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -418.239603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.239603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.239603 (E_RNA)
where:
Base-Base interactions energy: -296.739
where: short stacking energy: -121.947
Base-Backbone interact. energy: -0.156
local terms energy: -121.344628
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -35.462
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: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -377.863524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.863524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.863524 (E_RNA)
where:
Base-Base interactions energy: -270.613
where: short stacking energy: -121.676
Base-Backbone interact. energy: 0.636
local terms energy: -107.886981
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -32.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -376.721841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.721841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.721841 (E_RNA)
where:
Base-Base interactions energy: -255.378
where: short stacking energy: -112.145
Base-Backbone interact. energy: -0.147
local terms energy: -121.197064
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -29.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -339.143456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.143456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.143456 (E_RNA)
where:
Base-Base interactions energy: -231.431
where: short stacking energy: -105.752
Base-Backbone interact. energy: 1.836
local terms energy: -109.547852
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -28.240
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: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -355.434422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.434422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.434422 (E_RNA)
where:
Base-Base interactions energy: -233.040
where: short stacking energy: -110.034
Base-Backbone interact. energy: -0.730
local terms energy: -121.664015
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -34.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -278.614776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.614776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.614776 (E_RNA)
where:
Base-Base interactions energy: -181.577
where: short stacking energy: -86.618
Base-Backbone interact. energy: -0.359
local terms energy: -96.678793
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -248.626139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.626139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.626139 (E_RNA)
where:
Base-Base interactions energy: -167.232
where: short stacking energy: -73.595
Base-Backbone interact. energy: -0.259
local terms energy: -81.134668
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -189.088224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.088224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.088224 (E_RNA)
where:
Base-Base interactions energy: -104.029
where: short stacking energy: -64.005
Base-Backbone interact. energy: -0.220
local terms energy: -84.838578
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -12.161
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: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -115.881090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.881090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.881090 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.494
local terms energy: -82.001329
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -1.304
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: 35
Temperature: 1.350000
Total energy: -133.428954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.428954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.428954 (E_RNA)
where:
Base-Base interactions energy: -64.089
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.967
local terms energy: -68.373312
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -407.160394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.160394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.160394 (E_RNA)
where:
Base-Base interactions energy: -283.641
where: short stacking energy: -118.985
Base-Backbone interact. energy: -0.032
local terms energy: -123.487279
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -34.280
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -390.037694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.037694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.037694 (E_RNA)
where:
Base-Base interactions energy: -271.039
where: short stacking energy: -113.488
Base-Backbone interact. energy: -0.713
local terms energy: -118.285567
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -36.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -373.893073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.893073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.893073 (E_RNA)
where:
Base-Base interactions energy: -254.142
where: short stacking energy: -111.627
Base-Backbone interact. energy: -0.097
local terms energy: -119.654012
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -36.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -325.522464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.522464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.522464 (E_RNA)
where:
Base-Base interactions energy: -224.820
where: short stacking energy: -96.377
Base-Backbone interact. energy: 1.301
local terms energy: -102.004154
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -22.502
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: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -347.455564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.455564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.455564 (E_RNA)
where:
Base-Base interactions energy: -233.035
where: short stacking energy: -107.036
Base-Backbone interact. energy: -0.002
local terms energy: -114.418682
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -33.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -310.425494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.425494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.425494 (E_RNA)
where:
Base-Base interactions energy: -208.362
where: short stacking energy: -97.310
Base-Backbone interact. energy: 0.596
local terms energy: -102.659500
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -241.361193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.361193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.361193 (E_RNA)
where:
Base-Base interactions energy: -154.236
where: short stacking energy: -79.869
Base-Backbone interact. energy: -0.016
local terms energy: -87.109388
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -177.641205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.641205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.641205 (E_RNA)
where:
Base-Base interactions energy: -111.529
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.249
local terms energy: -65.863200
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -3.425
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: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -125.892250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.892250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.892250 (E_RNA)
where:
Base-Base interactions energy: -55.047
where: short stacking energy: -33.304
Base-Backbone interact. energy: -1.672
local terms energy: -69.174137
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -112.257487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.257487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.257487 (E_RNA)
where:
Base-Base interactions energy: -44.524
where: short stacking energy: -39.779
Base-Backbone interact. energy: 0.796
local terms energy: -68.530104
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -400.123267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.123267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.123267 (E_RNA)
where:
Base-Base interactions energy: -280.925
where: short stacking energy: -113.774
Base-Backbone interact. energy: -0.159
local terms energy: -119.039288
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -387.437871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.437871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.437871 (E_RNA)
where:
Base-Base interactions energy: -278.537
where: short stacking energy: -117.288
Base-Backbone interact. energy: -0.051
local terms energy: -108.850321
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -32.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -374.392757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.392757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.392757 (E_RNA)
where:
Base-Base interactions energy: -252.570
where: short stacking energy: -113.016
Base-Backbone interact. energy: -0.091
local terms energy: -121.732228
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -35.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -331.395064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.395064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.395064 (E_RNA)
where:
Base-Base interactions energy: -223.152
where: short stacking energy: -98.275
Base-Backbone interact. energy: -0.136
local terms energy: -108.106356
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -321.216037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.216037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.216037 (E_RNA)
where:
Base-Base interactions energy: -208.736
where: short stacking energy: -91.550
Base-Backbone interact. energy: -0.123
local terms energy: -112.356572
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -28.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -297.889930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.889930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.889930 (E_RNA)
where:
Base-Base interactions energy: -189.665
where: short stacking energy: -88.557
Base-Backbone interact. energy: -0.876
local terms energy: -107.349296
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -248.533395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.533395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.533395 (E_RNA)
where:
Base-Base interactions energy: -152.986
where: short stacking energy: -68.325
Base-Backbone interact. energy: -1.101
local terms energy: -94.446236
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -13.395
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: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -122.042200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.042200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.042200 (E_RNA)
where:
Base-Base interactions energy: -56.078
where: short stacking energy: -52.144
Base-Backbone interact. energy: -0.217
local terms energy: -65.746945
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -4.904
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: 37
Temperature: 1.300000
Total energy: -202.848074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.848074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.848074 (E_RNA)
where:
Base-Base interactions energy: -120.693
where: short stacking energy: -70.513
Base-Backbone interact. energy: -0.583
local terms energy: -81.572130
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -10.466
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: 37
Temperature: 1.350000
Total energy: -108.141658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.141658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.141658 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -38.182
Base-Backbone interact. energy: -0.294
local terms energy: -69.666301
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -10.938
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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -394.813090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.813090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.813090 (E_RNA)
where:
Base-Base interactions energy: -280.662
where: short stacking energy: -118.216
Base-Backbone interact. energy: 0.451
local terms energy: -114.602522
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -32.925
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: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -401.392767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.392767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.392767 (E_RNA)
where:
Base-Base interactions energy: -295.510
where: short stacking energy: -109.485
Base-Backbone interact. energy: -0.207
local terms energy: -105.676170
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -29.167
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: 38
Temperature: 1.000000
Total energy: -321.425073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.425073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.425073 (E_RNA)
where:
Base-Base interactions energy: -206.356
where: short stacking energy: -99.277
Base-Backbone interact. energy: -0.389
local terms energy: -114.680286
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -31.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -370.039152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.039152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.039152 (E_RNA)
where:
Base-Base interactions energy: -249.164
where: short stacking energy: -100.855
Base-Backbone interact. energy: -0.034
local terms energy: -120.841406
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -34.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -321.748213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.748213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.748213 (E_RNA)
where:
Base-Base interactions energy: -233.812
where: short stacking energy: -91.821
Base-Backbone interact. energy: -0.730
local terms energy: -87.206321
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -26.087
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: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -293.836672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.836672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.836672 (E_RNA)
where:
Base-Base interactions energy: -188.128
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.813
local terms energy: -104.894894
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -23.092
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: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -229.808749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.808749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.808749 (E_RNA)
where:
Base-Base interactions energy: -139.950
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.242
local terms energy: -89.616482
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -13.608
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: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -137.422575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.422575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.422575 (E_RNA)
where:
Base-Base interactions energy: -51.075
where: short stacking energy: -43.847
Base-Backbone interact. energy: 1.057
local terms energy: -87.405072
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -16.169
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: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -189.391552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.391552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.391552 (E_RNA)
where:
Base-Base interactions energy: -119.086
where: short stacking energy: -54.550
Base-Backbone interact. energy: -0.383
local terms energy: -69.922547
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -10.407
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: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -152.511481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.511481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.511481 (E_RNA)
where:
Base-Base interactions energy: -80.843
where: short stacking energy: -39.432
Base-Backbone interact. energy: -0.028
local terms energy: -71.640451
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -14.122
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: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -389.948650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.948650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.948650 (E_RNA)
where:
Base-Base interactions energy: -270.529
where: short stacking energy: -111.897
Base-Backbone interact. energy: -0.112
local terms energy: -119.307670
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -34.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -406.181425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.181425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.181425 (E_RNA)
where:
Base-Base interactions energy: -294.237
where: short stacking energy: -117.154
Base-Backbone interact. energy: -0.051
local terms energy: -111.893057
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -29.884
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: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -350.553229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.553229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.553229 (E_RNA)
where:
Base-Base interactions energy: -235.011
where: short stacking energy: -97.446
Base-Backbone interact. energy: -0.440
local terms energy: -115.102619
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -26.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -356.775920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.775920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.775920 (E_RNA)
where:
Base-Base interactions energy: -249.803
where: short stacking energy: -110.901
Base-Backbone interact. energy: -0.246
local terms energy: -106.726081
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -33.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -308.953601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.953601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.953601 (E_RNA)
where:
Base-Base interactions energy: -203.044
where: short stacking energy: -86.702
Base-Backbone interact. energy: -0.096
local terms energy: -105.813594
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -305.676820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.676820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.676820 (E_RNA)
where:
Base-Base interactions energy: -209.289
where: short stacking energy: -87.936
Base-Backbone interact. energy: -1.141
local terms energy: -95.247181
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -252.052579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.052579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.052579 (E_RNA)
where:
Base-Base interactions energy: -165.112
where: short stacking energy: -73.084
Base-Backbone interact. energy: -0.284
local terms energy: -86.656201
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -12.488
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: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -187.767406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.767406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.767406 (E_RNA)
where:
Base-Base interactions energy: -95.306
where: short stacking energy: -46.928
Base-Backbone interact. energy: -0.228
local terms energy: -92.233229
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -118.479440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.479440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.479440 (E_RNA)
where:
Base-Base interactions energy: -38.652
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.552
local terms energy: -79.275707
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -174.988401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.988401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.988401 (E_RNA)
where:
Base-Base interactions energy: -99.220
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.467
local terms energy: -75.301415
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -418.822269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.822269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.822269 (E_RNA)
where:
Base-Base interactions energy: -299.858
where: short stacking energy: -118.385
Base-Backbone interact. energy: -0.076
local terms energy: -118.888248
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -34.127
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: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -390.140379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.140379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.140379 (E_RNA)
where:
Base-Base interactions energy: -268.258
where: short stacking energy: -111.709
Base-Backbone interact. energy: -0.254
local terms energy: -121.628062
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -34.211
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: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -371.016050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.016050 (E_RNA)
where:
Base-Base interactions energy: -258.289
where: short stacking energy: -112.586
Base-Backbone interact. energy: -0.204
local terms energy: -112.523116
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -353.250288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.250288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.250288 (E_RNA)
where:
Base-Base interactions energy: -243.335
where: short stacking energy: -108.874
Base-Backbone interact. energy: -0.283
local terms energy: -109.632273
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -31.677
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: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -315.723071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.723071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.723071 (E_RNA)
where:
Base-Base interactions energy: -210.775
where: short stacking energy: -89.125
Base-Backbone interact. energy: -1.769
local terms energy: -103.178699
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -15.704
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: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -293.918299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.918299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.918299 (E_RNA)
where:
Base-Base interactions energy: -190.828
where: short stacking energy: -87.909
Base-Backbone interact. energy: 0.043
local terms energy: -103.132964
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -263.009887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.009887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.009887 (E_RNA)
where:
Base-Base interactions energy: -171.773
where: short stacking energy: -85.890
Base-Backbone interact. energy: 1.669
local terms energy: -92.905068
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -9.807
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: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -209.681224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.681224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.681224 (E_RNA)
where:
Base-Base interactions energy: -126.080
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.125
local terms energy: -83.476745
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -209.531728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.531728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.531728 (E_RNA)
where:
Base-Base interactions energy: -124.846
where: short stacking energy: -60.484
Base-Backbone interact. energy: -0.363
local terms energy: -84.323225
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -146.224669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.224669 (E_RNA)
where:
Base-Base interactions energy: -73.020
where: short stacking energy: -44.982
Base-Backbone interact. energy: -0.243
local terms energy: -72.960889
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -420.320825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.320825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.320825 (E_RNA)
where:
Base-Base interactions energy: -306.259
where: short stacking energy: -112.316
Base-Backbone interact. energy: -0.168
local terms energy: -113.894081
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -34.099
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -380.705916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.705916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.705916 (E_RNA)
where:
Base-Base interactions energy: -260.082
where: short stacking energy: -114.718
Base-Backbone interact. energy: -0.141
local terms energy: -120.482862
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -31.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -372.987874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.987874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.987874 (E_RNA)
where:
Base-Base interactions energy: -251.433
where: short stacking energy: -109.566
Base-Backbone interact. energy: -0.003
local terms energy: -121.551768
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -32.444
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: 41
Temperature: 1.050000
Total energy: -339.984853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.984853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.984853 (E_RNA)
where:
Base-Base interactions energy: -237.924
where: short stacking energy: -116.017
Base-Backbone interact. energy: -0.169
local terms energy: -101.892482
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -31.404
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -303.989358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.989358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.989358 (E_RNA)
where:
Base-Base interactions energy: -203.485
where: short stacking energy: -84.083
Base-Backbone interact. energy: -0.419
local terms energy: -100.085032
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -12.431
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: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -255.339427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.339427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.339427 (E_RNA)
where:
Base-Base interactions energy: -168.471
where: short stacking energy: -81.724
Base-Backbone interact. energy: -0.739
local terms energy: -86.130026
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -299.115112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.115112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.115112 (E_RNA)
where:
Base-Base interactions energy: -189.457
where: short stacking energy: -85.578
Base-Backbone interact. energy: -0.081
local terms energy: -109.576667
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -20.935
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: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -220.700886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.700886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.700886 (E_RNA)
where:
Base-Base interactions energy: -129.789
where: short stacking energy: -64.282
Base-Backbone interact. energy: -0.705
local terms energy: -90.206702
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -207.146665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.146665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.146665 (E_RNA)
where:
Base-Base interactions energy: -119.191
where: short stacking energy: -64.258
Base-Backbone interact. energy: -0.031
local terms energy: -87.924357
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -118.691591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.691591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.691591 (E_RNA)
where:
Base-Base interactions energy: -66.367
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.949
local terms energy: -51.375300
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.554
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: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -413.250985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.250985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.250985 (E_RNA)
where:
Base-Base interactions energy: -299.956
where: short stacking energy: -120.777
Base-Backbone interact. energy: -0.014
local terms energy: -113.281305
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -35.648
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: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -377.689795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.689795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.689795 (E_RNA)
where:
Base-Base interactions energy: -251.785
where: short stacking energy: -111.726
Base-Backbone interact. energy: -0.701
local terms energy: -125.202940
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -34.495
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: 42
Temperature: 1.000000
Total energy: -373.563923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.563923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.563923 (E_RNA)
where:
Base-Base interactions energy: -260.289
where: short stacking energy: -114.430
Base-Backbone interact. energy: 0.098
local terms energy: -113.372152
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -33.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -346.552182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.552182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.552182 (E_RNA)
where:
Base-Base interactions energy: -229.282
where: short stacking energy: -108.133
Base-Backbone interact. energy: -0.949
local terms energy: -116.320953
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -32.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -286.829404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.829404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.829404 (E_RNA)
where:
Base-Base interactions energy: -189.493
where: short stacking energy: -88.617
Base-Backbone interact. energy: -0.944
local terms energy: -96.391856
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -13.099
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: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -244.195437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.195437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.195437 (E_RNA)
where:
Base-Base interactions energy: -157.865
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.365
local terms energy: -85.965526
where:
bonds (distance) C4'-P energy: -25.434
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -12.380
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: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -298.620075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.620075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.620075 (E_RNA)
where:
Base-Base interactions energy: -203.495
where: short stacking energy: -96.385
Base-Backbone interact. energy: -0.128
local terms energy: -94.996278
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -217.069299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.069299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.069299 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -71.397
Base-Backbone interact. energy: -0.680
local terms energy: -88.974850
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -16.645
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -183.999624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.999624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.999624 (E_RNA)
where:
Base-Base interactions energy: -99.089
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.105
local terms energy: -84.805986
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -8.987
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: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -115.217529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.217529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.217529 (E_RNA)
where:
Base-Base interactions energy: -51.645
where: short stacking energy: -25.009
Base-Backbone interact. energy: -0.406
local terms energy: -63.166454
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: 2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -410.998244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.998244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.998244 (E_RNA)
where:
Base-Base interactions energy: -286.969
where: short stacking energy: -105.745
Base-Backbone interact. energy: -0.327
local terms energy: -123.702492
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -34.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -378.343062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.343062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.343062 (E_RNA)
where:
Base-Base interactions energy: -260.118
where: short stacking energy: -113.482
Base-Backbone interact. energy: -0.050
local terms energy: -118.175794
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -34.229
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: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -362.546667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.546667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.546667 (E_RNA)
where:
Base-Base interactions energy: -252.138
where: short stacking energy: -97.168
Base-Backbone interact. energy: -0.653
local terms energy: -109.755398
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -33.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -353.447566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.447566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.447566 (E_RNA)
where:
Base-Base interactions energy: -237.504
where: short stacking energy: -108.276
Base-Backbone interact. energy: -0.576
local terms energy: -115.368464
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -33.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -278.440702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.440702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.440702 (E_RNA)
where:
Base-Base interactions energy: -181.335
where: short stacking energy: -77.881
Base-Backbone interact. energy: 0.141
local terms energy: -97.246507
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -15.148
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -299.892670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.892670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.892670 (E_RNA)
where:
Base-Base interactions energy: -202.652
where: short stacking energy: -93.364
Base-Backbone interact. energy: 1.572
local terms energy: -98.812810
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -25.408
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: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -258.960918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.960918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.960918 (E_RNA)
where:
Base-Base interactions energy: -164.527
where: short stacking energy: -83.994
Base-Backbone interact. energy: -0.230
local terms energy: -94.203291
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -210.778193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.778193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.778193 (E_RNA)
where:
Base-Base interactions energy: -105.297
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.254
local terms energy: -105.227535
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -228.030659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.030659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.030659 (E_RNA)
where:
Base-Base interactions energy: -151.001
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.485
local terms energy: -76.544611
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -119.278474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.278474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.278474 (E_RNA)
where:
Base-Base interactions energy: -47.151
where: short stacking energy: -46.495
Base-Backbone interact. energy: -0.457
local terms energy: -71.670542
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -378.478435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.478435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.478435 (E_RNA)
where:
Base-Base interactions energy: -256.896
where: short stacking energy: -103.036
Base-Backbone interact. energy: -1.159
local terms energy: -120.423350
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -27.276
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -422.592532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.592532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.592532 (E_RNA)
where:
Base-Base interactions energy: -293.196
where: short stacking energy: -120.491
Base-Backbone interact. energy: -0.059
local terms energy: -129.337781
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -348.792191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.792191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.792191 (E_RNA)
where:
Base-Base interactions energy: -232.835
where: short stacking energy: -106.172
Base-Backbone interact. energy: -0.485
local terms energy: -115.471816
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -31.456
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: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -364.699288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.699288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.699288 (E_RNA)
where:
Base-Base interactions energy: -248.593
where: short stacking energy: -106.919
Base-Backbone interact. energy: -0.116
local terms energy: -115.990034
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -283.872901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.872901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.872901 (E_RNA)
where:
Base-Base interactions energy: -183.885
where: short stacking energy: -90.120
Base-Backbone interact. energy: -0.072
local terms energy: -99.915495
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -295.324128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.324128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.324128 (E_RNA)
where:
Base-Base interactions energy: -206.255
where: short stacking energy: -71.311
Base-Backbone interact. energy: -0.370
local terms energy: -88.698995
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.951
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: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -224.334703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.334703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.334703 (E_RNA)
where:
Base-Base interactions energy: -143.555
where: short stacking energy: -60.194
Base-Backbone interact. energy: 1.360
local terms energy: -82.139197
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -225.536494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.536494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.536494 (E_RNA)
where:
Base-Base interactions energy: -139.144
where: short stacking energy: -82.861
Base-Backbone interact. energy: 1.480
local terms energy: -87.871800
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -12.745
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: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -211.878933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878933 (E_RNA)
where:
Base-Base interactions energy: -126.610
where: short stacking energy: -65.626
Base-Backbone interact. energy: -0.265
local terms energy: -85.003414
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -12.598
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: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -119.588674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.588674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.588674 (E_RNA)
where:
Base-Base interactions energy: -51.713
where: short stacking energy: -32.557
Base-Backbone interact. energy: -1.012
local terms energy: -66.863280
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -384.782970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.782970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.782970 (E_RNA)
where:
Base-Base interactions energy: -268.115
where: short stacking energy: -114.552
Base-Backbone interact. energy: -0.023
local terms energy: -116.644744
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -18.177
tors. eta vs tors. theta energy: -31.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -406.930133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.930133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.930133 (E_RNA)
where:
Base-Base interactions energy: -286.860
where: short stacking energy: -115.903
Base-Backbone interact. energy: -0.145
local terms energy: -119.925164
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -36.086
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: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -351.845908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.845908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.845908 (E_RNA)
where:
Base-Base interactions energy: -234.586
where: short stacking energy: -111.124
Base-Backbone interact. energy: -0.733
local terms energy: -116.526943
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -35.795
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: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -372.432013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.432013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.432013 (E_RNA)
where:
Base-Base interactions energy: -255.467
where: short stacking energy: -110.053
Base-Backbone interact. energy: -0.076
local terms energy: -116.889025
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -24.505
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -33.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -295.456434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.456434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.456434 (E_RNA)
where:
Base-Base interactions energy: -199.932
where: short stacking energy: -97.066
Base-Backbone interact. energy: -0.062
local terms energy: -95.462493
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -306.309514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.309514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.309514 (E_RNA)
where:
Base-Base interactions energy: -206.271
where: short stacking energy: -95.644
Base-Backbone interact. energy: -0.145
local terms energy: -99.893289
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -27.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -199.701294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.701294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.701294 (E_RNA)
where:
Base-Base interactions energy: -116.996
where: short stacking energy: -66.311
Base-Backbone interact. energy: -0.220
local terms energy: -82.486136
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -226.052318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.052318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.052318 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.547
local terms energy: -92.353302
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -19.471
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -192.196543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.196543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.196543 (E_RNA)
where:
Base-Base interactions energy: -128.286
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.428
local terms energy: -63.481964
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -123.585304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.585304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.585304 (E_RNA)
where:
Base-Base interactions energy: -61.065
where: short stacking energy: -42.628
Base-Backbone interact. energy: -0.533
local terms energy: -61.987639
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -421.987932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.987932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.987932 (E_RNA)
where:
Base-Base interactions energy: -294.815
where: short stacking energy: -121.755
Base-Backbone interact. energy: -0.002
local terms energy: -127.171200
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -37.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -367.879709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.879709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.879709 (E_RNA)
where:
Base-Base interactions energy: -251.381
where: short stacking energy: -98.802
Base-Backbone interact. energy: -0.112
local terms energy: -116.386425
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -30.431
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: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -386.040671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.040671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.040671 (E_RNA)
where:
Base-Base interactions energy: -272.941
where: short stacking energy: -104.967
Base-Backbone interact. energy: -0.092
local terms energy: -113.007658
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -33.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -346.229103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.229103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.229103 (E_RNA)
where:
Base-Base interactions energy: -232.153
where: short stacking energy: -116.783
Base-Backbone interact. energy: -0.840
local terms energy: -113.235568
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -31.183
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: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -318.288870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.288870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.288870 (E_RNA)
where:
Base-Base interactions energy: -224.496
where: short stacking energy: -85.009
Base-Backbone interact. energy: -0.068
local terms energy: -93.724926
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -20.028
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: 46
Temperature: 1.150000
Total energy: -291.663510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.663510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.663510 (E_RNA)
where:
Base-Base interactions energy: -193.152
where: short stacking energy: -83.220
Base-Backbone interact. energy: -0.326
local terms energy: -98.185974
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -24.480
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: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -257.164288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.164288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.164288 (E_RNA)
where:
Base-Base interactions energy: -162.507
where: short stacking energy: -71.874
Base-Backbone interact. energy: -0.322
local terms energy: -94.334709
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -201.493647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.493647 (E_RNA)
where:
Base-Base interactions energy: -125.982
where: short stacking energy: -57.345
Base-Backbone interact. energy: -0.435
local terms energy: -75.076804
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -12.153
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: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -167.260784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.260784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.260784 (E_RNA)
where:
Base-Base interactions energy: -101.574
where: short stacking energy: -48.620
Base-Backbone interact. energy: -0.422
local terms energy: -65.265155
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -4.878
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: 46
Temperature: 1.350000
Total energy: -106.102398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.102398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.102398 (E_RNA)
where:
Base-Base interactions energy: -55.184
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.734
local terms energy: -50.184156
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: 3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -416.473727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.473727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.473727 (E_RNA)
where:
Base-Base interactions energy: -292.351
where: short stacking energy: -117.194
Base-Backbone interact. energy: -0.009
local terms energy: -124.113809
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -37.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -389.616860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.616860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.616860 (E_RNA)
where:
Base-Base interactions energy: -260.766
where: short stacking energy: -110.158
Base-Backbone interact. energy: -0.998
local terms energy: -127.853031
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -35.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -371.177446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.177446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.177446 (E_RNA)
where:
Base-Base interactions energy: -246.891
where: short stacking energy: -109.763
Base-Backbone interact. energy: -0.111
local terms energy: -124.175395
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -25.523
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -31.447
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: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -341.541797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.541797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.541797 (E_RNA)
where:
Base-Base interactions energy: -217.982
where: short stacking energy: -115.410
Base-Backbone interact. energy: -0.191
local terms energy: -123.368223
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -34.365
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: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -309.208897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.208897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.208897 (E_RNA)
where:
Base-Base interactions energy: -201.740
where: short stacking energy: -96.345
Base-Backbone interact. energy: -0.914
local terms energy: -106.554754
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -26.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -292.081099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.081099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.081099 (E_RNA)
where:
Base-Base interactions energy: -195.521
where: short stacking energy: -84.205
Base-Backbone interact. energy: -0.930
local terms energy: -95.630548
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -271.681289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.681289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.681289 (E_RNA)
where:
Base-Base interactions energy: -186.490
where: short stacking energy: -79.782
Base-Backbone interact. energy: -0.870
local terms energy: -84.321452
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -21.795
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: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -227.263211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.263211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.263211 (E_RNA)
where:
Base-Base interactions energy: -135.502
where: short stacking energy: -83.352
Base-Backbone interact. energy: -0.038
local terms energy: -91.722909
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -179.154659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.154659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.154659 (E_RNA)
where:
Base-Base interactions energy: -97.152
where: short stacking energy: -50.947
Base-Backbone interact. energy: 1.108
local terms energy: -83.111250
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: 3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -138.935092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.935092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.935092 (E_RNA)
where:
Base-Base interactions energy: -65.425
where: short stacking energy: -48.552
Base-Backbone interact. energy: -0.206
local terms energy: -73.304550
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -421.838780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.838780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.838780 (E_RNA)
where:
Base-Base interactions energy: -294.887
where: short stacking energy: -123.143
Base-Backbone interact. energy: 1.364
local terms energy: -128.315406
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -36.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -371.156252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.156252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.156252 (E_RNA)
where:
Base-Base interactions energy: -249.708
where: short stacking energy: -105.336
Base-Backbone interact. energy: -0.416
local terms energy: -121.032082
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -34.090
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: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -372.392044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.392044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.392044 (E_RNA)
where:
Base-Base interactions energy: -252.311
where: short stacking energy: -116.353
Base-Backbone interact. energy: -0.388
local terms energy: -119.692991
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -35.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -347.960767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.960767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.960767 (E_RNA)
where:
Base-Base interactions energy: -226.718
where: short stacking energy: -103.070
Base-Backbone interact. energy: 0.267
local terms energy: -121.509501
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -26.633
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -32.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -311.824786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.824786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.824786 (E_RNA)
where:
Base-Base interactions energy: -201.668
where: short stacking energy: -94.635
Base-Backbone interact. energy: -0.401
local terms energy: -109.756072
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -290.085177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.085177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.085177 (E_RNA)
where:
Base-Base interactions energy: -191.043
where: short stacking energy: -83.363
Base-Backbone interact. energy: -0.654
local terms energy: -98.388590
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -19.653
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: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -287.691755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.691755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.691755 (E_RNA)
where:
Base-Base interactions energy: -192.559
where: short stacking energy: -83.509
Base-Backbone interact. energy: -1.155
local terms energy: -93.977742
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -216.168203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.168203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.168203 (E_RNA)
where:
Base-Base interactions energy: -129.042
where: short stacking energy: -67.111
Base-Backbone interact. energy: 1.405
local terms energy: -88.531408
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -194.163657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.163657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.163657 (E_RNA)
where:
Base-Base interactions energy: -107.570
where: short stacking energy: -59.142
Base-Backbone interact. energy: -0.622
local terms energy: -85.971627
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -124.693315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.693315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.693315 (E_RNA)
where:
Base-Base interactions energy: -49.418
where: short stacking energy: -41.662
Base-Backbone interact. energy: -0.983
local terms energy: -74.292012
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -413.391317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.391317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.391317 (E_RNA)
where:
Base-Base interactions energy: -295.772
where: short stacking energy: -116.441
Base-Backbone interact. energy: -0.009
local terms energy: -117.610527
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -34.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -389.715614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.715614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.715614 (E_RNA)
where:
Base-Base interactions energy: -266.621
where: short stacking energy: -114.431
Base-Backbone interact. energy: -1.773
local terms energy: -121.321818
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -37.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -348.052705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.052705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.052705 (E_RNA)
where:
Base-Base interactions energy: -228.395
where: short stacking energy: -103.479
Base-Backbone interact. energy: -0.114
local terms energy: -119.543646
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -35.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -349.128391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.128391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.128391 (E_RNA)
where:
Base-Base interactions energy: -239.567
where: short stacking energy: -97.084
Base-Backbone interact. energy: -0.626
local terms energy: -108.935692
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -27.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -316.817083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.817083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.817083 (E_RNA)
where:
Base-Base interactions energy: -211.114
where: short stacking energy: -96.930
Base-Backbone interact. energy: -0.149
local terms energy: -105.553490
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -25.191
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: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -326.097970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.097970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.097970 (E_RNA)
where:
Base-Base interactions energy: -211.199
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.470
local terms energy: -114.428243
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -26.282
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: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -288.727134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.727134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.727134 (E_RNA)
where:
Base-Base interactions energy: -191.517
where: short stacking energy: -80.341
Base-Backbone interact. energy: -0.056
local terms energy: -97.154224
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -215.105358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.105358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.105358 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -62.533
Base-Backbone interact. energy: 0.111
local terms energy: -83.868705
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -189.341497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.341497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.341497 (E_RNA)
where:
Base-Base interactions energy: -119.989
where: short stacking energy: -59.442
Base-Backbone interact. energy: 0.652
local terms energy: -70.004171
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -8.058
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -172.710365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.710365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.710365 (E_RNA)
where:
Base-Base interactions energy: -90.825
where: short stacking energy: -47.683
Base-Backbone interact. energy: 0.308
local terms energy: -82.192871
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -9.885
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: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -403.879482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.879482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.879482 (E_RNA)
where:
Base-Base interactions energy: -277.357
where: short stacking energy: -112.948
Base-Backbone interact. energy: -0.318
local terms energy: -126.204147
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -35.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -414.865984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.865984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.865984 (E_RNA)
where:
Base-Base interactions energy: -296.686
where: short stacking energy: -122.620
Base-Backbone interact. energy: -0.008
local terms energy: -118.172384
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -35.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -360.518565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.518565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.518565 (E_RNA)
where:
Base-Base interactions energy: -246.280
where: short stacking energy: -108.165
Base-Backbone interact. energy: -1.382
local terms energy: -112.856616
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -342.872515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.872515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.872515 (E_RNA)
where:
Base-Base interactions energy: -233.945
where: short stacking energy: -99.944
Base-Backbone interact. energy: -0.002
local terms energy: -108.925407
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -32.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -332.442074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.442074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.442074 (E_RNA)
where:
Base-Base interactions energy: -244.578
where: short stacking energy: -103.888
Base-Backbone interact. energy: -1.796
local terms energy: -86.068827
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -26.155
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: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -300.055379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.055379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.055379 (E_RNA)
where:
Base-Base interactions energy: -207.272
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.477
local terms energy: -92.306678
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -295.492592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.492592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.492592 (E_RNA)
where:
Base-Base interactions energy: -214.399
where: short stacking energy: -78.063
Base-Backbone interact. energy: 1.026
local terms energy: -82.119575
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -213.134554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.134554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.134554 (E_RNA)
where:
Base-Base interactions energy: -131.606
where: short stacking energy: -68.083
Base-Backbone interact. energy: -0.203
local terms energy: -81.325578
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -175.787678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.787678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.787678 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -57.331
Base-Backbone interact. energy: -0.177
local terms energy: -80.044711
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -163.563808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.563808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.563808 (E_RNA)
where:
Base-Base interactions energy: -85.125
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.232
local terms energy: -78.206933
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -393.702527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.702527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.702527 (E_RNA)
where:
Base-Base interactions energy: -269.305
where: short stacking energy: -117.712
Base-Backbone interact. energy: -0.084
local terms energy: -124.314049
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -28.181
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -33.557
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: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -405.579751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.579751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.579751 (E_RNA)
where:
Base-Base interactions energy: -292.960
where: short stacking energy: -122.029
Base-Backbone interact. energy: -0.561
local terms energy: -112.058964
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -34.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -359.252033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.252033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.252033 (E_RNA)
where:
Base-Base interactions energy: -241.082
where: short stacking energy: -102.154
Base-Backbone interact. energy: -0.121
local terms energy: -118.049421
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -27.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -339.849575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.849575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.849575 (E_RNA)
where:
Base-Base interactions energy: -214.538
where: short stacking energy: -106.390
Base-Backbone interact. energy: -0.009
local terms energy: -125.302888
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -362.003335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.003335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.003335 (E_RNA)
where:
Base-Base interactions energy: -247.464
where: short stacking energy: -107.864
Base-Backbone interact. energy: -1.002
local terms energy: -113.537853
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -31.414
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: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -296.261191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.261191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.261191 (E_RNA)
where:
Base-Base interactions energy: -205.302
where: short stacking energy: -83.659
Base-Backbone interact. energy: -0.370
local terms energy: -90.589093
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -4.017
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: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -294.371986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.371986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.371986 (E_RNA)
where:
Base-Base interactions energy: -207.537
where: short stacking energy: -86.294
Base-Backbone interact. energy: -0.250
local terms energy: -86.585539
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -19.017
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: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -186.759003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.759003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.759003 (E_RNA)
where:
Base-Base interactions energy: -104.606
where: short stacking energy: -50.162
Base-Backbone interact. energy: 4.921
local terms energy: -87.073633
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -12.410
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: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -213.245681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.245681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.245681 (E_RNA)
where:
Base-Base interactions energy: -131.450
where: short stacking energy: -71.992
Base-Backbone interact. energy: 0.392
local terms energy: -82.187466
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -15.469
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: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -148.474763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.474763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.474763 (E_RNA)
where:
Base-Base interactions energy: -65.784
where: short stacking energy: -30.321
Base-Backbone interact. energy: 1.174
local terms energy: -83.864852
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: 1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -410.344434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.344434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.344434 (E_RNA)
where:
Base-Base interactions energy: -288.036
where: short stacking energy: -117.080
Base-Backbone interact. energy: -0.118
local terms energy: -122.190851
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -33.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -398.634942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.634942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.634942 (E_RNA)
where:
Base-Base interactions energy: -275.849
where: short stacking energy: -115.468
Base-Backbone interact. energy: 0.041
local terms energy: -122.826341
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -358.144754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.144754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.144754 (E_RNA)
where:
Base-Base interactions energy: -240.974
where: short stacking energy: -109.972
Base-Backbone interact. energy: -0.040
local terms energy: -117.131663
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -34.557
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: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -373.926399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.926399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.926399 (E_RNA)
where:
Base-Base interactions energy: -250.897
where: short stacking energy: -109.956
Base-Backbone interact. energy: -0.173
local terms energy: -122.855722
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -33.229
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: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -350.721207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.721207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.721207 (E_RNA)
where:
Base-Base interactions energy: -240.046
where: short stacking energy: -99.409
Base-Backbone interact. energy: 0.606
local terms energy: -111.281037
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -28.792
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: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -309.920390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.920390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.920390 (E_RNA)
where:
Base-Base interactions energy: -197.573
where: short stacking energy: -93.590
Base-Backbone interact. energy: -0.302
local terms energy: -112.045318
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -25.025
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: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -296.385719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.385719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.385719 (E_RNA)
where:
Base-Base interactions energy: -205.268
where: short stacking energy: -80.294
Base-Backbone interact. energy: -0.634
local terms energy: -90.483844
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -195.840932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.840932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.840932 (E_RNA)
where:
Base-Base interactions energy: -95.940
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.163
local terms energy: -99.737898
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -194.202055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.202055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.202055 (E_RNA)
where:
Base-Base interactions energy: -99.416
where: short stacking energy: -62.642
Base-Backbone interact. energy: 4.184
local terms energy: -98.969729
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -25.714
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -125.919579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.919579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.919579 (E_RNA)
where:
Base-Base interactions energy: -53.075
where: short stacking energy: -37.536
Base-Backbone interact. energy: 0.082
local terms energy: -72.927006
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -1.928
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: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -417.519124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.519124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.519124 (E_RNA)
where:
Base-Base interactions energy: -292.977
where: short stacking energy: -123.741
Base-Backbone interact. energy: -0.044
local terms energy: -124.498075
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -27.618
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -39.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -390.437665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.437665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.437665 (E_RNA)
where:
Base-Base interactions energy: -270.727
where: short stacking energy: -119.761
Base-Backbone interact. energy: -0.334
local terms energy: -119.376258
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -38.322
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: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -355.557523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.557523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.557523 (E_RNA)
where:
Base-Base interactions energy: -237.778
where: short stacking energy: -112.898
Base-Backbone interact. energy: -0.078
local terms energy: -117.701006
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -33.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -338.438339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.438339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.438339 (E_RNA)
where:
Base-Base interactions energy: -232.539
where: short stacking energy: -94.662
Base-Backbone interact. energy: -0.106
local terms energy: -105.793695
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -26.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -340.356297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.356297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.356297 (E_RNA)
where:
Base-Base interactions energy: -238.473
where: short stacking energy: -114.943
Base-Backbone interact. energy: 0.329
local terms energy: -102.213052
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -29.635
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: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -299.900188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.900188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.900188 (E_RNA)
where:
Base-Base interactions energy: -205.396
where: short stacking energy: -79.100
Base-Backbone interact. energy: 0.700
local terms energy: -95.204683
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -294.651129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.651129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.651129 (E_RNA)
where:
Base-Base interactions energy: -194.564
where: short stacking energy: -86.023
Base-Backbone interact. energy: -0.250
local terms energy: -99.836706
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -25.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -207.717315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.717315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.717315 (E_RNA)
where:
Base-Base interactions energy: -129.336
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.310
local terms energy: -78.071348
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: 0.255
tors. eta vs tors. theta energy: -15.930
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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -205.350543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.350543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.350543 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.857
local terms energy: -85.389838
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -12.594
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: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -120.483421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.483421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.483421 (E_RNA)
where:
Base-Base interactions energy: -48.379
where: short stacking energy: -46.866
Base-Backbone interact. energy: -0.367
local terms energy: -71.736965
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -0.882
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: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -426.877518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.877518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.877518 (E_RNA)
where:
Base-Base interactions energy: -302.009
where: short stacking energy: -128.901
Base-Backbone interact. energy: -0.008
local terms energy: -124.860383
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -37.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -387.442974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.442974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.442974 (E_RNA)
where:
Base-Base interactions energy: -271.157
where: short stacking energy: -115.988
Base-Backbone interact. energy: -0.079
local terms energy: -116.206918
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -31.992
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: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -347.001238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.001238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.001238 (E_RNA)
where:
Base-Base interactions energy: -227.922
where: short stacking energy: -107.879
Base-Backbone interact. energy: -0.288
local terms energy: -118.790341
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -29.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -329.433589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.433589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.433589 (E_RNA)
where:
Base-Base interactions energy: -223.867
where: short stacking energy: -81.009
Base-Backbone interact. energy: -0.176
local terms energy: -105.390328
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -313.919401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.919401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.919401 (E_RNA)
where:
Base-Base interactions energy: -210.141
where: short stacking energy: -94.550
Base-Backbone interact. energy: -0.147
local terms energy: -103.631589
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -311.745389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.745389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.745389 (E_RNA)
where:
Base-Base interactions energy: -216.563
where: short stacking energy: -94.505
Base-Backbone interact. energy: 0.439
local terms energy: -95.622026
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -18.482
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -290.086641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.086641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.086641 (E_RNA)
where:
Base-Base interactions energy: -191.466
where: short stacking energy: -87.066
Base-Backbone interact. energy: -0.394
local terms energy: -98.226506
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -17.319
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: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -208.396325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.396325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.396325 (E_RNA)
where:
Base-Base interactions energy: -123.435
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.563
local terms energy: -84.398501
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -200.613734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.613734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.613734 (E_RNA)
where:
Base-Base interactions energy: -117.821
where: short stacking energy: -66.369
Base-Backbone interact. energy: -1.029
local terms energy: -81.764092
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -112.140354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.140354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.140354 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -35.852
Base-Backbone interact. energy: 1.171
local terms energy: -75.728917
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -4.830
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: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -418.046931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.046931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.046931 (E_RNA)
where:
Base-Base interactions energy: -290.011
where: short stacking energy: -115.559
Base-Backbone interact. energy: -0.171
local terms energy: -127.864757
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -35.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -379.716142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.716142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.716142 (E_RNA)
where:
Base-Base interactions energy: -264.904
where: short stacking energy: -110.065
Base-Backbone interact. energy: -0.062
local terms energy: -114.750983
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -33.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -346.617404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.617404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.617404 (E_RNA)
where:
Base-Base interactions energy: -232.064
where: short stacking energy: -109.760
Base-Backbone interact. energy: -0.379
local terms energy: -114.174167
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -31.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -346.880141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.880141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.880141 (E_RNA)
where:
Base-Base interactions energy: -239.981
where: short stacking energy: -102.021
Base-Backbone interact. energy: -0.151
local terms energy: -106.747876
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -28.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -309.625801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.625801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.625801 (E_RNA)
where:
Base-Base interactions energy: -211.314
where: short stacking energy: -96.894
Base-Backbone interact. energy: -1.146
local terms energy: -97.166201
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -309.604134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.604134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.604134 (E_RNA)
where:
Base-Base interactions energy: -211.775
where: short stacking energy: -86.315
Base-Backbone interact. energy: -0.380
local terms energy: -97.449696
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -278.300545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.300545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.300545 (E_RNA)
where:
Base-Base interactions energy: -182.691
where: short stacking energy: -93.334
Base-Backbone interact. energy: -0.137
local terms energy: -95.472132
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -16.460
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: 8, replica: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -192.826758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826758 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -50.768
Base-Backbone interact. energy: -0.237
local terms energy: -73.473670
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -194.894644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.894644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.894644 (E_RNA)
where:
Base-Base interactions energy: -112.869
where: short stacking energy: -50.922
Base-Backbone interact. energy: 0.868
local terms energy: -82.893653
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -14.215
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: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -112.951475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.951475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.951475 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.034
local terms energy: -76.075207
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -7.064
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: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -426.165657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.165657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.165657 (E_RNA)
where:
Base-Base interactions energy: -306.902
where: short stacking energy: -120.506
Base-Backbone interact. energy: -0.108
local terms energy: -119.155576
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -34.777
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: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -382.683718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.683718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.683718 (E_RNA)
where:
Base-Base interactions energy: -262.764
where: short stacking energy: -105.417
Base-Backbone interact. energy: -1.678
local terms energy: -118.241807
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -35.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -342.674288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.674288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.674288 (E_RNA)
where:
Base-Base interactions energy: -234.240
where: short stacking energy: -100.519
Base-Backbone interact. energy: -1.132
local terms energy: -107.302484
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -28.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -336.061728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.061728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.061728 (E_RNA)
where:
Base-Base interactions energy: -224.124
where: short stacking energy: -104.826
Base-Backbone interact. energy: -0.154
local terms energy: -111.783782
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -31.395
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: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -312.492598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.492598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.492598 (E_RNA)
where:
Base-Base interactions energy: -226.840
where: short stacking energy: -92.748
Base-Backbone interact. energy: 0.472
local terms energy: -86.124496
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -10.431
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: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -320.694790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.694790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.694790 (E_RNA)
where:
Base-Base interactions energy: -211.983
where: short stacking energy: -92.392
Base-Backbone interact. energy: -0.856
local terms energy: -107.855509
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -26.112
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -298.294171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.294171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.294171 (E_RNA)
where:
Base-Base interactions energy: -196.546
where: short stacking energy: -85.235
Base-Backbone interact. energy: 0.952
local terms energy: -102.700267
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -204.625947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.625947 (E_RNA)
where:
Base-Base interactions energy: -117.117
where: short stacking energy: -56.521
Base-Backbone interact. energy: -0.495
local terms energy: -87.014388
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -199.147726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147726 (E_RNA)
where:
Base-Base interactions energy: -117.498
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.041
local terms energy: -81.608504
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -10.425
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: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -154.187488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.187488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.187488 (E_RNA)
where:
Base-Base interactions energy: -83.407
where: short stacking energy: -45.394
Base-Backbone interact. energy: 0.939
local terms energy: -71.719820
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -430.153953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.153953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.153953 (E_RNA)
where:
Base-Base interactions energy: -310.341
where: short stacking energy: -128.815
Base-Backbone interact. energy: -0.307
local terms energy: -119.505395
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -38.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -362.341177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.341177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.341177 (E_RNA)
where:
Base-Base interactions energy: -246.417
where: short stacking energy: -105.586
Base-Backbone interact. energy: -0.772
local terms energy: -115.152527
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -30.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -385.013144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.013144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.013144 (E_RNA)
where:
Base-Base interactions energy: -263.784
where: short stacking energy: -118.164
Base-Backbone interact. energy: -0.164
local terms energy: -121.065392
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -33.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -325.673566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.673566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.673566 (E_RNA)
where:
Base-Base interactions energy: -230.245
where: short stacking energy: -80.384
Base-Backbone interact. energy: -0.284
local terms energy: -95.144258
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -322.528792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.528792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.528792 (E_RNA)
where:
Base-Base interactions energy: -217.680
where: short stacking energy: -98.545
Base-Backbone interact. energy: 0.649
local terms energy: -105.497527
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -316.022413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.022413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.022413 (E_RNA)
where:
Base-Base interactions energy: -213.926
where: short stacking energy: -84.153
Base-Backbone interact. energy: -0.223
local terms energy: -101.873800
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -24.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -294.331234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.331234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.331234 (E_RNA)
where:
Base-Base interactions energy: -203.603
where: short stacking energy: -79.084
Base-Backbone interact. energy: -0.711
local terms energy: -90.016276
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -15.381
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: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -228.925348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.925348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.925348 (E_RNA)
where:
Base-Base interactions energy: -137.598
where: short stacking energy: -82.985
Base-Backbone interact. energy: 2.130
local terms energy: -93.457704
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -17.462
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -199.563938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.563938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.563938 (E_RNA)
where:
Base-Base interactions energy: -109.583
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.029
local terms energy: -89.952126
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -13.924
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: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -109.023273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.023273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.023273 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -22.892
Base-Backbone interact. energy: -2.889
local terms energy: -71.464991
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -14.425
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: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -423.724105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.724105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.724105 (E_RNA)
where:
Base-Base interactions energy: -298.769
where: short stacking energy: -113.863
Base-Backbone interact. energy: 1.692
local terms energy: -126.647106
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -36.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -355.728050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.728050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.728050 (E_RNA)
where:
Base-Base interactions energy: -238.260
where: short stacking energy: -104.144
Base-Backbone interact. energy: -0.478
local terms energy: -116.990032
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -29.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -382.023079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.023079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.023079 (E_RNA)
where:
Base-Base interactions energy: -265.894
where: short stacking energy: -117.189
Base-Backbone interact. energy: -0.212
local terms energy: -115.917692
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -35.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -312.270140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.270140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.270140 (E_RNA)
where:
Base-Base interactions energy: -204.336
where: short stacking energy: -77.002
Base-Backbone interact. energy: -1.596
local terms energy: -106.338392
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -332.462146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.462146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.462146 (E_RNA)
where:
Base-Base interactions energy: -224.162
where: short stacking energy: -97.078
Base-Backbone interact. energy: -0.297
local terms energy: -108.002379
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -23.058
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: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -326.865101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.865101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.865101 (E_RNA)
where:
Base-Base interactions energy: -221.531
where: short stacking energy: -113.895
Base-Backbone interact. energy: -0.642
local terms energy: -104.692137
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -33.538
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: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -271.915558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.915558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.915558 (E_RNA)
where:
Base-Base interactions energy: -183.191
where: short stacking energy: -80.460
Base-Backbone interact. energy: -0.329
local terms energy: -88.395013
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -212.472788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.472788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.472788 (E_RNA)
where:
Base-Base interactions energy: -119.786
where: short stacking energy: -59.444
Base-Backbone interact. energy: 0.574
local terms energy: -93.261005
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -21.919
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: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -175.859793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.859793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.859793 (E_RNA)
where:
Base-Base interactions energy: -88.818
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.480
local terms energy: -86.561266
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -119.373325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.373325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.373325 (E_RNA)
where:
Base-Base interactions energy: -55.589
where: short stacking energy: -42.242
Base-Backbone interact. energy: 0.223
local terms energy: -64.006740
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: 4.267
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: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -428.559243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.559243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.559243 (E_RNA)
where:
Base-Base interactions energy: -307.128
where: short stacking energy: -120.058
Base-Backbone interact. energy: -0.317
local terms energy: -121.114706
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -38.561
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: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -392.430608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.430608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.430608 (E_RNA)
where:
Base-Base interactions energy: -286.504
where: short stacking energy: -120.215
Base-Backbone interact. energy: -0.116
local terms energy: -105.811351
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -34.173
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: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -352.396515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.396515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.396515 (E_RNA)
where:
Base-Base interactions energy: -244.791
where: short stacking energy: -101.566
Base-Backbone interact. energy: -0.257
local terms energy: -107.347953
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -27.052
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: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -331.043113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.043113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.043113 (E_RNA)
where:
Base-Base interactions energy: -226.549
where: short stacking energy: -101.932
Base-Backbone interact. energy: -0.914
local terms energy: -103.579926
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -326.435792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.435792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.435792 (E_RNA)
where:
Base-Base interactions energy: -226.364
where: short stacking energy: -100.969
Base-Backbone interact. energy: -0.372
local terms energy: -99.699595
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -321.636791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.636791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.636791 (E_RNA)
where:
Base-Base interactions energy: -221.118
where: short stacking energy: -101.942
Base-Backbone interact. energy: -0.071
local terms energy: -100.447042
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -30.417
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -291.260088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.260088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.260088 (E_RNA)
where:
Base-Base interactions energy: -188.874
where: short stacking energy: -80.237
Base-Backbone interact. energy: -0.207
local terms energy: -102.179214
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -19.738
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: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -225.634950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.634950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.634950 (E_RNA)
where:
Base-Base interactions energy: -141.932
where: short stacking energy: -74.224
Base-Backbone interact. energy: -0.164
local terms energy: -83.538351
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -181.967990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.967990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.967990 (E_RNA)
where:
Base-Base interactions energy: -95.280
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.099
local terms energy: -86.588320
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -9.031
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: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -150.966102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.966102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.966102 (E_RNA)
where:
Base-Base interactions energy: -75.616
where: short stacking energy: -49.470
Base-Backbone interact. energy: -0.442
local terms energy: -74.908034
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -427.928744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.928744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.928744 (E_RNA)
where:
Base-Base interactions energy: -303.993
where: short stacking energy: -129.000
Base-Backbone interact. energy: -0.011
local terms energy: -123.924642
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -36.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -391.647259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.647259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.647259 (E_RNA)
where:
Base-Base interactions energy: -270.738
where: short stacking energy: -108.944
Base-Backbone interact. energy: -0.044
local terms energy: -120.864944
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -33.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -370.805843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.805843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.805843 (E_RNA)
where:
Base-Base interactions energy: -253.166
where: short stacking energy: -101.773
Base-Backbone interact. energy: -0.497
local terms energy: -117.142642
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -330.415295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.415295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.415295 (E_RNA)
where:
Base-Base interactions energy: -223.868
where: short stacking energy: -92.357
Base-Backbone interact. energy: -0.026
local terms energy: -106.521335
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -27.433
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: 60
Temperature: 1.100000
Total energy: -285.686626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.686626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.686626 (E_RNA)
where:
Base-Base interactions energy: -185.560
where: short stacking energy: -80.726
Base-Backbone interact. energy: 0.939
local terms energy: -101.065460
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -304.981247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.981247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.981247 (E_RNA)
where:
Base-Base interactions energy: -218.843
where: short stacking energy: -87.179
Base-Backbone interact. energy: -1.019
local terms energy: -85.119495
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -280.239895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.239895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.239895 (E_RNA)
where:
Base-Base interactions energy: -183.545
where: short stacking energy: -78.279
Base-Backbone interact. energy: 0.593
local terms energy: -97.287908
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -194.160353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.160353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.160353 (E_RNA)
where:
Base-Base interactions energy: -105.131
where: short stacking energy: -53.102
Base-Backbone interact. energy: -0.150
local terms energy: -88.879825
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -168.202305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.202305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.202305 (E_RNA)
where:
Base-Base interactions energy: -98.359
where: short stacking energy: -36.063
Base-Backbone interact. energy: 0.920
local terms energy: -70.763168
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: 2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -180.043051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.043051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.043051 (E_RNA)
where:
Base-Base interactions energy: -107.557
where: short stacking energy: -52.544
Base-Backbone interact. energy: -0.042
local terms energy: -72.443649
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -427.408420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.408420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.408420 (E_RNA)
where:
Base-Base interactions energy: -299.169
where: short stacking energy: -117.468
Base-Backbone interact. energy: -0.180
local terms energy: -128.059666
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -385.374445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.374445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.374445 (E_RNA)
where:
Base-Base interactions energy: -270.632
where: short stacking energy: -114.041
Base-Backbone interact. energy: -0.067
local terms energy: -114.675864
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -35.738
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -370.223194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.223194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.223194 (E_RNA)
where:
Base-Base interactions energy: -258.399
where: short stacking energy: -106.052
Base-Backbone interact. energy: 0.964
local terms energy: -112.787812
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -336.442025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.442025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.442025 (E_RNA)
where:
Base-Base interactions energy: -231.708
where: short stacking energy: -99.163
Base-Backbone interact. energy: -0.068
local terms energy: -104.666246
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -26.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -255.186562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.186562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.186562 (E_RNA)
where:
Base-Base interactions energy: -161.254
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.427
local terms energy: -93.504979
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -312.935794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.935794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.935794 (E_RNA)
where:
Base-Base interactions energy: -221.225
where: short stacking energy: -89.160
Base-Backbone interact. energy: 0.097
local terms energy: -91.807357
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -8.316
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: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -261.808051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.808051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.808051 (E_RNA)
where:
Base-Base interactions energy: -171.508
where: short stacking energy: -69.028
Base-Backbone interact. energy: 1.403
local terms energy: -91.703945
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -7.669
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: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -183.216394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.216394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.216394 (E_RNA)
where:
Base-Base interactions energy: -94.273
where: short stacking energy: -54.384
Base-Backbone interact. energy: 1.987
local terms energy: -90.930659
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -192.379055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.379055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.379055 (E_RNA)
where:
Base-Base interactions energy: -102.476
where: short stacking energy: -59.042
Base-Backbone interact. energy: -0.675
local terms energy: -89.227836
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -16.110
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: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -170.432541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432541 (E_RNA)
where:
Base-Base interactions energy: -102.412
where: short stacking energy: -62.202
Base-Backbone interact. energy: 0.190
local terms energy: -68.210403
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -409.778150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.778150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.778150 (E_RNA)
where:
Base-Base interactions energy: -281.668
where: short stacking energy: -115.728
Base-Backbone interact. energy: -0.145
local terms energy: -127.965219
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -37.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -381.045684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.045684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.045684 (E_RNA)
where:
Base-Base interactions energy: -266.081
where: short stacking energy: -115.621
Base-Backbone interact. energy: 0.105
local terms energy: -115.069507
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -373.657642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.657642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.657642 (E_RNA)
where:
Base-Base interactions energy: -264.365
where: short stacking energy: -114.099
Base-Backbone interact. energy: -1.003
local terms energy: -108.289841
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -302.131562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.131562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.131562 (E_RNA)
where:
Base-Base interactions energy: -199.565
where: short stacking energy: -94.708
Base-Backbone interact. energy: -0.157
local terms energy: -102.409290
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -23.589
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: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -326.527698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.527698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.527698 (E_RNA)
where:
Base-Base interactions energy: -229.444
where: short stacking energy: -91.228
Base-Backbone interact. energy: -0.479
local terms energy: -96.604400
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -13.737
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -243.511626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.511626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.511626 (E_RNA)
where:
Base-Base interactions energy: -156.370
where: short stacking energy: -82.532
Base-Backbone interact. energy: 1.304
local terms energy: -88.445413
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -11.803
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: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -261.479272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.479272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.479272 (E_RNA)
where:
Base-Base interactions energy: -179.854
where: short stacking energy: -75.834
Base-Backbone interact. energy: -0.933
local terms energy: -80.691420
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -179.676138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.676138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.676138 (E_RNA)
where:
Base-Base interactions energy: -101.759
where: short stacking energy: -53.907
Base-Backbone interact. energy: -0.168
local terms energy: -77.749187
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -5.238
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: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -214.761856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.761856 (E_RNA)
where:
Base-Base interactions energy: -131.299
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.476
local terms energy: -82.987466
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -14.778
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: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -130.233900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.233900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.233900 (E_RNA)
where:
Base-Base interactions energy: -66.752
where: short stacking energy: -42.006
Base-Backbone interact. energy: -0.100
local terms energy: -63.382520
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -414.078206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.078206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.078206 (E_RNA)
where:
Base-Base interactions energy: -284.952
where: short stacking energy: -122.792
Base-Backbone interact. energy: -0.242
local terms energy: -128.884513
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -36.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -392.328933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.328933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.328933 (E_RNA)
where:
Base-Base interactions energy: -273.289
where: short stacking energy: -113.371
Base-Backbone interact. energy: -0.334
local terms energy: -118.705548
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -34.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -371.821505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.821505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.821505 (E_RNA)
where:
Base-Base interactions energy: -264.427
where: short stacking energy: -110.429
Base-Backbone interact. energy: -0.313
local terms energy: -107.081219
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -335.152154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.152154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.152154 (E_RNA)
where:
Base-Base interactions energy: -236.939
where: short stacking energy: -94.902
Base-Backbone interact. energy: -0.082
local terms energy: -98.131903
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -296.210328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.210328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.210328 (E_RNA)
where:
Base-Base interactions energy: -183.144
where: short stacking energy: -91.787
Base-Backbone interact. energy: -0.245
local terms energy: -112.821730
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -27.998
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: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -264.607720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.607720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.607720 (E_RNA)
where:
Base-Base interactions energy: -178.315
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.407
local terms energy: -85.886247
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -8.862
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: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -226.946355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.946355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.946355 (E_RNA)
where:
Base-Base interactions energy: -138.936
where: short stacking energy: -54.816
Base-Backbone interact. energy: 0.940
local terms energy: -88.950268
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -214.358160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.358160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.358160 (E_RNA)
where:
Base-Base interactions energy: -139.571
where: short stacking energy: -64.140
Base-Backbone interact. energy: 2.468
local terms energy: -77.255210
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -171.352176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.352176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.352176 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -48.032
Base-Backbone interact. energy: -0.061
local terms energy: -79.069760
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -6.743
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: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -116.271466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.271466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.271466 (E_RNA)
where:
Base-Base interactions energy: -59.564
where: short stacking energy: -34.233
Base-Backbone interact. energy: -0.959
local terms energy: -55.748521
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -417.981037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.981037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.981037 (E_RNA)
where:
Base-Base interactions energy: -293.218
where: short stacking energy: -122.000
Base-Backbone interact. energy: -0.071
local terms energy: -124.692070
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -37.592
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: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -392.202939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.202939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.202939 (E_RNA)
where:
Base-Base interactions energy: -270.626
where: short stacking energy: -118.836
Base-Backbone interact. energy: -0.676
local terms energy: -120.901116
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -35.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -359.947139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.947139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.947139 (E_RNA)
where:
Base-Base interactions energy: -258.871
where: short stacking energy: -103.118
Base-Backbone interact. energy: -0.374
local terms energy: -100.702951
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -23.119
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: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -359.805857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.805857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.805857 (E_RNA)
where:
Base-Base interactions energy: -248.262
where: short stacking energy: -96.404
Base-Backbone interact. energy: -0.253
local terms energy: -111.290813
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -29.472
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: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -291.343011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.343011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.343011 (E_RNA)
where:
Base-Base interactions energy: -194.909
where: short stacking energy: -71.155
Base-Backbone interact. energy: -0.062
local terms energy: -96.371771
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -15.676
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: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -317.115237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.115237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.115237 (E_RNA)
where:
Base-Base interactions energy: -218.516
where: short stacking energy: -85.806
Base-Backbone interact. energy: -1.272
local terms energy: -97.327270
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -218.022564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.022564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.022564 (E_RNA)
where:
Base-Base interactions energy: -142.391
where: short stacking energy: -71.320
Base-Backbone interact. energy: -0.614
local terms energy: -75.018361
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -237.511450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.511450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.511450 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.722
local terms energy: -93.500091
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -123.876078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.876078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.876078 (E_RNA)
where:
Base-Base interactions energy: -47.224
where: short stacking energy: -46.597
Base-Backbone interact. energy: 1.494
local terms energy: -78.146954
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -128.697677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.697677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.697677 (E_RNA)
where:
Base-Base interactions energy: -62.478
where: short stacking energy: -34.821
Base-Backbone interact. energy: -2.242
local terms energy: -63.977975
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: 2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -421.282731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.282731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.282731 (E_RNA)
where:
Base-Base interactions energy: -288.021
where: short stacking energy: -122.231
Base-Backbone interact. energy: -0.010
local terms energy: -133.251417
where:
bonds (distance) C4'-P energy: -24.556
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -38.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -397.930449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.930449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.930449 (E_RNA)
where:
Base-Base interactions energy: -281.259
where: short stacking energy: -116.712
Base-Backbone interact. energy: -0.149
local terms energy: -116.523143
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -35.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -346.282660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.282660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.282660 (E_RNA)
where:
Base-Base interactions energy: -257.966
where: short stacking energy: -103.048
Base-Backbone interact. energy: -1.291
local terms energy: -87.026009
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -351.098298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.098298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.098298 (E_RNA)
where:
Base-Base interactions energy: -238.606
where: short stacking energy: -105.823
Base-Backbone interact. energy: -0.374
local terms energy: -112.118409
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -338.150783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.150783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.150783 (E_RNA)
where:
Base-Base interactions energy: -222.906
where: short stacking energy: -93.418
Base-Backbone interact. energy: 0.341
local terms energy: -115.585811
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -28.580
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: 65
Temperature: 1.150000
Total energy: -302.140692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.140692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.140692 (E_RNA)
where:
Base-Base interactions energy: -198.917
where: short stacking energy: -96.586
Base-Backbone interact. energy: -0.408
local terms energy: -102.815639
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -16.557
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: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -204.828016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.828016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.828016 (E_RNA)
where:
Base-Base interactions energy: -116.129
where: short stacking energy: -54.946
Base-Backbone interact. energy: 0.771
local terms energy: -89.470156
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -222.522591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.522591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.522591 (E_RNA)
where:
Base-Base interactions energy: -145.609
where: short stacking energy: -73.037
Base-Backbone interact. energy: -0.349
local terms energy: -76.564571
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -11.685
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: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -118.143896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.143896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.143896 (E_RNA)
where:
Base-Base interactions energy: -41.294
where: short stacking energy: -32.096
Base-Backbone interact. energy: -0.357
local terms energy: -76.492742
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -4.000
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: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -159.057050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.057050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.057050 (E_RNA)
where:
Base-Base interactions energy: -98.933
where: short stacking energy: -45.784
Base-Backbone interact. energy: -1.693
local terms energy: -58.431311
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -4.519
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: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -421.176768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.176768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.176768 (E_RNA)
where:
Base-Base interactions energy: -303.280
where: short stacking energy: -127.720
Base-Backbone interact. energy: -0.012
local terms energy: -117.885649
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -36.068
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: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -395.911804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.911804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.911804 (E_RNA)
where:
Base-Base interactions energy: -270.768
where: short stacking energy: -114.663
Base-Backbone interact. energy: -0.153
local terms energy: -124.990331
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -35.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -359.595961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.595961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.595961 (E_RNA)
where:
Base-Base interactions energy: -247.685
where: short stacking energy: -98.153
Base-Backbone interact. energy: -0.512
local terms energy: -111.398786
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -348.357367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.357367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.357367 (E_RNA)
where:
Base-Base interactions energy: -240.407
where: short stacking energy: -90.059
Base-Backbone interact. energy: 1.193
local terms energy: -109.143064
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -22.289
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -319.134731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.134731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.134731 (E_RNA)
where:
Base-Base interactions energy: -205.587
where: short stacking energy: -100.585
Base-Backbone interact. energy: -0.321
local terms energy: -113.227443
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -26.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -320.624441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.624441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.624441 (E_RNA)
where:
Base-Base interactions energy: -213.061
where: short stacking energy: -102.475
Base-Backbone interact. energy: -0.527
local terms energy: -107.036663
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -29.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -257.876076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.876076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.876076 (E_RNA)
where:
Base-Base interactions energy: -158.472
where: short stacking energy: -77.123
Base-Backbone interact. energy: -2.071
local terms energy: -97.332243
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -194.222781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.222781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.222781 (E_RNA)
where:
Base-Base interactions energy: -111.442
where: short stacking energy: -59.404
Base-Backbone interact. energy: -1.114
local terms energy: -81.667355
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -160.271925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.271925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.271925 (E_RNA)
where:
Base-Base interactions energy: -86.866
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.463
local terms energy: -72.943251
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -6.077
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: 66
Temperature: 1.350000
Total energy: -114.347590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.347590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.347590 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -38.699
Base-Backbone interact. energy: -0.829
local terms energy: -73.323736
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -425.519419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.519419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.519419 (E_RNA)
where:
Base-Base interactions energy: -302.193
where: short stacking energy: -127.513
Base-Backbone interact. energy: -0.007
local terms energy: -123.318936
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -36.195
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: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -386.901456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.901456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.901456 (E_RNA)
where:
Base-Base interactions energy: -266.678
where: short stacking energy: -114.147
Base-Backbone interact. energy: -0.149
local terms energy: -120.074548
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -33.596
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: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -371.429859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.429859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.429859 (E_RNA)
where:
Base-Base interactions energy: -260.483
where: short stacking energy: -99.084
Base-Backbone interact. energy: -0.760
local terms energy: -110.186630
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -28.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -343.180283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.180283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.180283 (E_RNA)
where:
Base-Base interactions energy: -231.305
where: short stacking energy: -85.805
Base-Backbone interact. energy: 0.223
local terms energy: -112.098386
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -308.799101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.799101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.799101 (E_RNA)
where:
Base-Base interactions energy: -199.506
where: short stacking energy: -96.039
Base-Backbone interact. energy: -0.453
local terms energy: -108.839978
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -28.151
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: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -294.839291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.839291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.839291 (E_RNA)
where:
Base-Base interactions energy: -195.478
where: short stacking energy: -96.061
Base-Backbone interact. energy: -0.199
local terms energy: -99.162644
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -24.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -265.519424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.519424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.519424 (E_RNA)
where:
Base-Base interactions energy: -163.448
where: short stacking energy: -82.346
Base-Backbone interact. energy: -0.327
local terms energy: -101.744308
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -193.333174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.333174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.333174 (E_RNA)
where:
Base-Base interactions energy: -107.209
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.215
local terms energy: -85.909244
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -10.573
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: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -186.694679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.694679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.694679 (E_RNA)
where:
Base-Base interactions energy: -111.341
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.506
local terms energy: -74.847368
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -142.295828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.295828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.295828 (E_RNA)
where:
Base-Base interactions energy: -78.747
where: short stacking energy: -37.297
Base-Backbone interact. energy: -0.414
local terms energy: -63.135089
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -7.674
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: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -418.495745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.495745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.495745 (E_RNA)
where:
Base-Base interactions energy: -302.813
where: short stacking energy: -122.026
Base-Backbone interact. energy: -0.388
local terms energy: -115.295126
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -391.820292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.820292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.820292 (E_RNA)
where:
Base-Base interactions energy: -264.656
where: short stacking energy: -113.374
Base-Backbone interact. energy: -0.072
local terms energy: -127.092163
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -35.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -369.204012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.204012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.204012 (E_RNA)
where:
Base-Base interactions energy: -258.147
where: short stacking energy: -105.039
Base-Backbone interact. energy: -1.931
local terms energy: -109.126237
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -28.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -350.443702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.443702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.443702 (E_RNA)
where:
Base-Base interactions energy: -250.842
where: short stacking energy: -84.293
Base-Backbone interact. energy: -0.587
local terms energy: -99.014288
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -305.312426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.312426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.312426 (E_RNA)
where:
Base-Base interactions energy: -197.441
where: short stacking energy: -77.547
Base-Backbone interact. energy: -1.421
local terms energy: -106.450810
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -301.161069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.161069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.161069 (E_RNA)
where:
Base-Base interactions energy: -201.359
where: short stacking energy: -92.190
Base-Backbone interact. energy: -0.648
local terms energy: -99.153655
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -27.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -192.495306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.495306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.495306 (E_RNA)
where:
Base-Base interactions energy: -107.579
where: short stacking energy: -62.366
Base-Backbone interact. energy: -0.346
local terms energy: -84.569970
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -217.587838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.587838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.587838 (E_RNA)
where:
Base-Base interactions energy: -125.417
where: short stacking energy: -63.367
Base-Backbone interact. energy: -0.705
local terms energy: -91.466786
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -125.140707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.140707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.140707 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -34.920
Base-Backbone interact. energy: -0.294
local terms energy: -88.759389
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -190.140263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.140263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.140263 (E_RNA)
where:
Base-Base interactions energy: -130.803
where: short stacking energy: -68.787
Base-Backbone interact. energy: 1.363
local terms energy: -60.700378
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -425.946013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.946013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.946013 (E_RNA)
where:
Base-Base interactions energy: -292.368
where: short stacking energy: -116.632
Base-Backbone interact. energy: -0.018
local terms energy: -133.560010
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -35.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -378.436992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.436992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.436992 (E_RNA)
where:
Base-Base interactions energy: -256.729
where: short stacking energy: -106.525
Base-Backbone interact. energy: -0.117
local terms energy: -121.591794
where:
bonds (distance) C4'-P energy: -27.152
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -30.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -376.419072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.419072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.419072 (E_RNA)
where:
Base-Base interactions energy: -252.963
where: short stacking energy: -97.901
Base-Backbone interact. energy: -0.836
local terms energy: -122.619944
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -33.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -346.622081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.622081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.622081 (E_RNA)
where:
Base-Base interactions energy: -247.914
where: short stacking energy: -92.290
Base-Backbone interact. energy: -0.663
local terms energy: -98.045634
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -301.566755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.566755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.566755 (E_RNA)
where:
Base-Base interactions energy: -200.455
where: short stacking energy: -83.193
Base-Backbone interact. energy: -1.120
local terms energy: -99.991432
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -22.086
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: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -264.976698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.976698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.976698 (E_RNA)
where:
Base-Base interactions energy: -184.368
where: short stacking energy: -81.228
Base-Backbone interact. energy: -0.748
local terms energy: -79.860508
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -188.393588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.393588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.393588 (E_RNA)
where:
Base-Base interactions energy: -107.201
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.536
local terms energy: -80.656188
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -219.947049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.947049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.947049 (E_RNA)
where:
Base-Base interactions energy: -120.728
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.270
local terms energy: -98.949700
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -12.159
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: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -126.957049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.957049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.957049 (E_RNA)
where:
Base-Base interactions energy: -41.837
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.212
local terms energy: -84.908315
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -191.201706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.201706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.201706 (E_RNA)
where:
Base-Base interactions energy: -114.736
where: short stacking energy: -71.586
Base-Backbone interact. energy: -0.012
local terms energy: -76.454022
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -423.485733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.485733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.485733 (E_RNA)
where:
Base-Base interactions energy: -298.591
where: short stacking energy: -121.783
Base-Backbone interact. energy: -0.581
local terms energy: -124.313887
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -376.570134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.570134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.570134 (E_RNA)
where:
Base-Base interactions energy: -264.573
where: short stacking energy: -100.301
Base-Backbone interact. energy: -1.287
local terms energy: -110.710141
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -26.502
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: 70
Temperature: 1.000000
Total energy: -380.842017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.842017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.842017 (E_RNA)
where:
Base-Base interactions energy: -261.975
where: short stacking energy: -108.635
Base-Backbone interact. energy: -0.103
local terms energy: -118.763877
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -33.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -327.128463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.128463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.128463 (E_RNA)
where:
Base-Base interactions energy: -225.197
where: short stacking energy: -83.555
Base-Backbone interact. energy: -1.227
local terms energy: -100.704571
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -15.598
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: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -310.932496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.932496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.932496 (E_RNA)
where:
Base-Base interactions energy: -204.513
where: short stacking energy: -82.294
Base-Backbone interact. energy: 0.165
local terms energy: -106.584401
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -278.031320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.031320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.031320 (E_RNA)
where:
Base-Base interactions energy: -185.785
where: short stacking energy: -77.926
Base-Backbone interact. energy: -0.097
local terms energy: -92.149381
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -248.522013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.522013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.522013 (E_RNA)
where:
Base-Base interactions energy: -159.842
where: short stacking energy: -82.111
Base-Backbone interact. energy: 0.903
local terms energy: -89.582674
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -15.099
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: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -181.027591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.027591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.027591 (E_RNA)
where:
Base-Base interactions energy: -101.522
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.299
local terms energy: -79.206571
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -13.349
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: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -183.237827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.237827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.237827 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -61.157
Base-Backbone interact. energy: -0.333
local terms energy: -74.997221
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -116.358322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.358322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.358322 (E_RNA)
where:
Base-Base interactions energy: -42.025
where: short stacking energy: -24.002
Base-Backbone interact. energy: -0.198
local terms energy: -74.135831
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -423.178262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.178262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.178262 (E_RNA)
where:
Base-Base interactions energy: -305.890
where: short stacking energy: -123.313
Base-Backbone interact. energy: 0.113
local terms energy: -117.401062
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -388.092106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.092106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.092106 (E_RNA)
where:
Base-Base interactions energy: -270.522
where: short stacking energy: -109.301
Base-Backbone interact. energy: -0.975
local terms energy: -116.594928
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -32.306
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: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -358.209909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.209909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.209909 (E_RNA)
where:
Base-Base interactions energy: -246.180
where: short stacking energy: -102.162
Base-Backbone interact. energy: -1.285
local terms energy: -110.744958
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -24.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -325.549795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.549795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.549795 (E_RNA)
where:
Base-Base interactions energy: -230.071
where: short stacking energy: -102.128
Base-Backbone interact. energy: -0.739
local terms energy: -94.738923
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -21.707
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: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -327.279836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.279836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.279836 (E_RNA)
where:
Base-Base interactions energy: -218.154
where: short stacking energy: -90.518
Base-Backbone interact. energy: -0.101
local terms energy: -109.024553
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -255.617193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.617193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.617193 (E_RNA)
where:
Base-Base interactions energy: -163.153
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.538
local terms energy: -91.926347
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -247.190075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.190075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.190075 (E_RNA)
where:
Base-Base interactions energy: -158.979
where: short stacking energy: -70.256
Base-Backbone interact. energy: -0.326
local terms energy: -87.884357
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -200.273711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.273711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.273711 (E_RNA)
where:
Base-Base interactions energy: -121.511
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.159
local terms energy: -78.603440
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -5.575
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: 71
Temperature: 1.300000
Total energy: -170.037243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.037243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.037243 (E_RNA)
where:
Base-Base interactions energy: -89.517
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.197
local terms energy: -80.323563
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -8.614
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -131.532594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.532594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.532594 (E_RNA)
where:
Base-Base interactions energy: -56.712
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.260
local terms energy: -74.560931
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -11.233
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: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -423.083153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.083153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.083153 (E_RNA)
where:
Base-Base interactions energy: -300.576
where: short stacking energy: -122.487
Base-Backbone interact. energy: -0.862
local terms energy: -121.644597
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -38.682
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: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -391.664511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.664511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.664511 (E_RNA)
where:
Base-Base interactions energy: -268.854
where: short stacking energy: -111.451
Base-Backbone interact. energy: -0.081
local terms energy: -122.729961
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -35.749
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -357.746872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.746872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.746872 (E_RNA)
where:
Base-Base interactions energy: -239.938
where: short stacking energy: -107.929
Base-Backbone interact. energy: -0.632
local terms energy: -117.177151
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -322.896207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.896207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.896207 (E_RNA)
where:
Base-Base interactions energy: -215.478
where: short stacking energy: -95.466
Base-Backbone interact. energy: -0.301
local terms energy: -107.117398
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -26.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -329.649711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.649711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.649711 (E_RNA)
where:
Base-Base interactions energy: -219.389
where: short stacking energy: -87.313
Base-Backbone interact. energy: -2.388
local terms energy: -107.873406
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -246.951661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.951661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.951661 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -74.816
Base-Backbone interact. energy: -0.164
local terms energy: -97.061487
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -11.495
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: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -218.789934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.789934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.789934 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.092
local terms energy: -83.602974
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -6.446
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: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -190.387442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.387442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.387442 (E_RNA)
where:
Base-Base interactions energy: -110.047
where: short stacking energy: -54.052
Base-Backbone interact. energy: -0.626
local terms energy: -79.714477
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -167.073434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.073434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.073434 (E_RNA)
where:
Base-Base interactions energy: -86.638
where: short stacking energy: -49.787
Base-Backbone interact. energy: -0.780
local terms energy: -79.655392
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -12.807
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: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -128.757244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.757244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.757244 (E_RNA)
where:
Base-Base interactions energy: -66.628
where: short stacking energy: -55.389
Base-Backbone interact. energy: -1.034
local terms energy: -61.094577
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -7.988
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: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -420.505000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.505000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.505000 (E_RNA)
where:
Base-Base interactions energy: -291.300
where: short stacking energy: -120.065
Base-Backbone interact. energy: -0.734
local terms energy: -128.470457
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -35.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -385.688752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.688752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.688752 (E_RNA)
where:
Base-Base interactions energy: -271.027
where: short stacking energy: -112.725
Base-Backbone interact. energy: -0.806
local terms energy: -113.855737
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -25.229
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -33.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -369.568744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.568744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.568744 (E_RNA)
where:
Base-Base interactions energy: -259.170
where: short stacking energy: -102.176
Base-Backbone interact. energy: 0.139
local terms energy: -110.537513
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -27.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -330.707430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.707430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.707430 (E_RNA)
where:
Base-Base interactions energy: -232.730
where: short stacking energy: -85.373
Base-Backbone interact. energy: -0.226
local terms energy: -97.750671
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -316.549619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.549619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.549619 (E_RNA)
where:
Base-Base interactions energy: -215.606
where: short stacking energy: -96.369
Base-Backbone interact. energy: -0.127
local terms energy: -100.816330
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -25.741
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: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -203.550201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.550201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.550201 (E_RNA)
where:
Base-Base interactions energy: -112.979
where: short stacking energy: -55.680
Base-Backbone interact. energy: -1.135
local terms energy: -89.436425
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -226.006228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.006228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.006228 (E_RNA)
where:
Base-Base interactions energy: -131.904
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.175
local terms energy: -93.927135
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -191.185883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.185883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.185883 (E_RNA)
where:
Base-Base interactions energy: -110.229
where: short stacking energy: -66.034
Base-Backbone interact. energy: 0.155
local terms energy: -81.112360
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -189.367968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.367968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.367968 (E_RNA)
where:
Base-Base interactions energy: -115.269
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.138
local terms energy: -73.961306
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -9.601
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: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -109.471244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.471244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.471244 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -37.173
Base-Backbone interact. energy: -0.093
local terms energy: -72.205559
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -387.273677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.273677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.273677 (E_RNA)
where:
Base-Base interactions energy: -257.135
where: short stacking energy: -108.934
Base-Backbone interact. energy: -0.737
local terms energy: -129.402145
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -35.053
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: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -408.333059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.333059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.333059 (E_RNA)
where:
Base-Base interactions energy: -278.837
where: short stacking energy: -114.547
Base-Backbone interact. energy: -0.281
local terms energy: -129.214778
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -26.455
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -36.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -373.042598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.042598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.042598 (E_RNA)
where:
Base-Base interactions energy: -270.912
where: short stacking energy: -105.505
Base-Backbone interact. energy: -0.398
local terms energy: -101.732570
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -29.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -346.207095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.207095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.207095 (E_RNA)
where:
Base-Base interactions energy: -232.805
where: short stacking energy: -98.048
Base-Backbone interact. energy: -0.495
local terms energy: -112.906986
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -30.616
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: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -304.831363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.831363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.831363 (E_RNA)
where:
Base-Base interactions energy: -204.296
where: short stacking energy: -82.552
Base-Backbone interact. energy: 0.589
local terms energy: -101.124041
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -217.432515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.432515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.432515 (E_RNA)
where:
Base-Base interactions energy: -135.757
where: short stacking energy: -68.663
Base-Backbone interact. energy: -0.248
local terms energy: -81.427479
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -234.920581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.920581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.920581 (E_RNA)
where:
Base-Base interactions energy: -150.197
where: short stacking energy: -68.579
Base-Backbone interact. energy: 0.217
local terms energy: -84.940196
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -7.172
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: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -177.929062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.929062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.929062 (E_RNA)
where:
Base-Base interactions energy: -104.070
where: short stacking energy: -63.430
Base-Backbone interact. energy: 0.629
local terms energy: -74.488431
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -184.420778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.420778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.420778 (E_RNA)
where:
Base-Base interactions energy: -110.555
where: short stacking energy: -61.574
Base-Backbone interact. energy: -0.122
local terms energy: -73.743349
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -127.720168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.720168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.720168 (E_RNA)
where:
Base-Base interactions energy: -58.736
where: short stacking energy: -44.659
Base-Backbone interact. energy: -0.309
local terms energy: -68.674921
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -398.071238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.071238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.071238 (E_RNA)
where:
Base-Base interactions energy: -276.686
where: short stacking energy: -118.215
Base-Backbone interact. energy: -0.145
local terms energy: -121.240407
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -34.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -410.792954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.792954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.792954 (E_RNA)
where:
Base-Base interactions energy: -286.617
where: short stacking energy: -121.227
Base-Backbone interact. energy: -0.056
local terms energy: -124.119375
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -38.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -362.787350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.787350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.787350 (E_RNA)
where:
Base-Base interactions energy: -253.614
where: short stacking energy: -106.436
Base-Backbone interact. energy: -0.299
local terms energy: -108.874078
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -29.475
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: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -333.032883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.032883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.032883 (E_RNA)
where:
Base-Base interactions energy: -221.098
where: short stacking energy: -100.914
Base-Backbone interact. energy: -0.561
local terms energy: -111.373759
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -322.492797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.492797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.492797 (E_RNA)
where:
Base-Base interactions energy: -209.805
where: short stacking energy: -82.020
Base-Backbone interact. energy: -0.322
local terms energy: -112.365705
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -254.417239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.417239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.417239 (E_RNA)
where:
Base-Base interactions energy: -169.460
where: short stacking energy: -88.709
Base-Backbone interact. energy: -0.041
local terms energy: -84.916859
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -5.941
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: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -227.863456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.863456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.863456 (E_RNA)
where:
Base-Base interactions energy: -137.773
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.338
local terms energy: -89.751601
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -11.790
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: 75
Temperature: 1.250000
Total energy: -190.165419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.165419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.165419 (E_RNA)
where:
Base-Base interactions energy: -105.411
where: short stacking energy: -66.372
Base-Backbone interact. energy: 1.086
local terms energy: -85.839940
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -203.536392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.536392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.536392 (E_RNA)
where:
Base-Base interactions energy: -113.487
where: short stacking energy: -60.641
Base-Backbone interact. energy: 1.723
local terms energy: -91.772714
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -9.149
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -129.751585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.751585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.751585 (E_RNA)
where:
Base-Base interactions energy: -59.261
where: short stacking energy: -46.699
Base-Backbone interact. energy: 4.593
local terms energy: -75.083547
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -423.313110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.313110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.313110 (E_RNA)
where:
Base-Base interactions energy: -300.415
where: short stacking energy: -124.048
Base-Backbone interact. energy: -0.125
local terms energy: -122.773649
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -36.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -383.554328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.554328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.554328 (E_RNA)
where:
Base-Base interactions energy: -263.557
where: short stacking energy: -116.635
Base-Backbone interact. energy: -0.043
local terms energy: -119.953763
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -36.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -368.053672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.053672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.053672 (E_RNA)
where:
Base-Base interactions energy: -251.031
where: short stacking energy: -111.242
Base-Backbone interact. energy: -0.752
local terms energy: -116.270584
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -28.407
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -28.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -316.197109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.197109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.197109 (E_RNA)
where:
Base-Base interactions energy: -198.580
where: short stacking energy: -93.861
Base-Backbone interact. energy: -1.881
local terms energy: -115.736496
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -24.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -320.671436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.671436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.671436 (E_RNA)
where:
Base-Base interactions energy: -212.891
where: short stacking energy: -90.721
Base-Backbone interact. energy: -0.472
local terms energy: -107.308609
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -241.137223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.137223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.137223 (E_RNA)
where:
Base-Base interactions energy: -166.254
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.158
local terms energy: -74.725139
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -190.722222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.722222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.722222 (E_RNA)
where:
Base-Base interactions energy: -105.660
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.129
local terms energy: -84.933026
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -214.595117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.595117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.595117 (E_RNA)
where:
Base-Base interactions energy: -125.541
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.099
local terms energy: -88.954305
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -17.037
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: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -146.365157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.365157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.365157 (E_RNA)
where:
Base-Base interactions energy: -63.341
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.740
local terms energy: -82.283640
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -6.559
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: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -177.988978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.988978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.988978 (E_RNA)
where:
Base-Base interactions energy: -106.182
where: short stacking energy: -57.117
Base-Backbone interact. energy: -0.310
local terms energy: -71.496810
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -417.727742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.727742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.727742 (E_RNA)
where:
Base-Base interactions energy: -292.166
where: short stacking energy: -122.308
Base-Backbone interact. energy: -0.683
local terms energy: -124.878496
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -25.601
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -40.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -389.540422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.540422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.540422 (E_RNA)
where:
Base-Base interactions energy: -270.610
where: short stacking energy: -111.210
Base-Backbone interact. energy: -0.115
local terms energy: -118.815530
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -35.359
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: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -360.660611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.660611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.660611 (E_RNA)
where:
Base-Base interactions energy: -249.037
where: short stacking energy: -97.057
Base-Backbone interact. energy: -0.215
local terms energy: -111.408754
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -326.077609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.077609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.077609 (E_RNA)
where:
Base-Base interactions energy: -223.270
where: short stacking energy: -93.687
Base-Backbone interact. energy: -0.812
local terms energy: -101.995213
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -311.517128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.517128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.517128 (E_RNA)
where:
Base-Base interactions energy: -206.368
where: short stacking energy: -106.550
Base-Backbone interact. energy: -0.380
local terms energy: -104.768992
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -23.037
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: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -251.548963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.548963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.548963 (E_RNA)
where:
Base-Base interactions energy: -170.951
where: short stacking energy: -84.595
Base-Backbone interact. energy: -0.048
local terms energy: -80.549914
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -183.345841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.345841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.345841 (E_RNA)
where:
Base-Base interactions energy: -99.951
where: short stacking energy: -46.541
Base-Backbone interact. energy: -0.294
local terms energy: -83.101108
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -132.871371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.871371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.871371 (E_RNA)
where:
Base-Base interactions energy: -59.626
where: short stacking energy: -53.865
Base-Backbone interact. energy: -0.077
local terms energy: -73.168429
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -4.061
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: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -169.679932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.679932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.679932 (E_RNA)
where:
Base-Base interactions energy: -88.454
where: short stacking energy: -47.897
Base-Backbone interact. energy: 0.896
local terms energy: -82.121611
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -183.534031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.534031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.534031 (E_RNA)
where:
Base-Base interactions energy: -103.059
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.321
local terms energy: -80.154393
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -10.303
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: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -428.198285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.198285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.198285 (E_RNA)
where:
Base-Base interactions energy: -293.898
where: short stacking energy: -119.145
Base-Backbone interact. energy: -0.063
local terms energy: -134.237408
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -38.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -382.893559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.893559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.893559 (E_RNA)
where:
Base-Base interactions energy: -254.477
where: short stacking energy: -116.816
Base-Backbone interact. energy: -0.006
local terms energy: -128.411146
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -37.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -345.238253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.238253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.238253 (E_RNA)
where:
Base-Base interactions energy: -229.537
where: short stacking energy: -97.754
Base-Backbone interact. energy: -0.883
local terms energy: -114.817342
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -26.371
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -356.598961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.598961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.598961 (E_RNA)
where:
Base-Base interactions energy: -243.176
where: short stacking energy: -97.681
Base-Backbone interact. energy: 1.634
local terms energy: -115.057725
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -26.268
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: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -313.883850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.883850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.883850 (E_RNA)
where:
Base-Base interactions energy: -210.147
where: short stacking energy: -111.377
Base-Backbone interact. energy: -0.121
local terms energy: -103.615271
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -24.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -241.334010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.334010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.334010 (E_RNA)
where:
Base-Base interactions energy: -151.798
where: short stacking energy: -75.305
Base-Backbone interact. energy: -1.069
local terms energy: -88.467215
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -12.772
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: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -186.300006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.300006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.300006 (E_RNA)
where:
Base-Base interactions energy: -92.657
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.117
local terms energy: -93.525962
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -166.632751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.632751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.632751 (E_RNA)
where:
Base-Base interactions energy: -90.912
where: short stacking energy: -32.434
Base-Backbone interact. energy: 0.737
local terms energy: -76.457495
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -27.037
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -2.584
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: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -195.711738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.711738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.711738 (E_RNA)
where:
Base-Base interactions energy: -125.444
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.724
local terms energy: -69.543178
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -11.059
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -172.830843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.830843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.830843 (E_RNA)
where:
Base-Base interactions energy: -93.819
where: short stacking energy: -54.964
Base-Backbone interact. energy: -0.368
local terms energy: -78.644270
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -5.532
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: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -427.218740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.218740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.218740 (E_RNA)
where:
Base-Base interactions energy: -301.946
where: short stacking energy: -118.511
Base-Backbone interact. energy: -0.054
local terms energy: -125.218789
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -27.767
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -36.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -379.605388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.605388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.605388 (E_RNA)
where:
Base-Base interactions energy: -261.510
where: short stacking energy: -109.726
Base-Backbone interact. energy: 0.602
local terms energy: -118.697357
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -36.635
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -338.979463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.979463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.979463 (E_RNA)
where:
Base-Base interactions energy: -226.008
where: short stacking energy: -108.478
Base-Backbone interact. energy: -0.485
local terms energy: -112.486118
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -25.149
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -25.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -361.377828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.377828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.377828 (E_RNA)
where:
Base-Base interactions energy: -255.047
where: short stacking energy: -99.250
Base-Backbone interact. energy: -0.842
local terms energy: -105.489019
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -26.028
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: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -313.871257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.871257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.871257 (E_RNA)
where:
Base-Base interactions energy: -207.103
where: short stacking energy: -91.641
Base-Backbone interact. energy: -2.118
local terms energy: -104.650243
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -256.728874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.728874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.728874 (E_RNA)
where:
Base-Base interactions energy: -150.042
where: short stacking energy: -83.877
Base-Backbone interact. energy: -0.065
local terms energy: -106.621595
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -22.790
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: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -195.634020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.634020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.634020 (E_RNA)
where:
Base-Base interactions energy: -115.043
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.175
local terms energy: -80.415831
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -11.698
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: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -204.787168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.787168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.787168 (E_RNA)
where:
Base-Base interactions energy: -127.868
where: short stacking energy: -62.410
Base-Backbone interact. energy: 0.351
local terms energy: -77.270081
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -167.073782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.073782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.073782 (E_RNA)
where:
Base-Base interactions energy: -86.703
where: short stacking energy: -48.656
Base-Backbone interact. energy: -1.439
local terms energy: -78.932009
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -1.300
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: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -114.501495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.501495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.501495 (E_RNA)
where:
Base-Base interactions energy: -45.384
where: short stacking energy: -44.492
Base-Backbone interact. energy: 3.039
local terms energy: -72.156543
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -6.021
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: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -422.414285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.414285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.414285 (E_RNA)
where:
Base-Base interactions energy: -298.826
where: short stacking energy: -121.277
Base-Backbone interact. energy: -0.010
local terms energy: -123.578236
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -36.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -378.521804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.521804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.521804 (E_RNA)
where:
Base-Base interactions energy: -256.120
where: short stacking energy: -101.754
Base-Backbone interact. energy: -0.732
local terms energy: -121.669956
where:
bonds (distance) C4'-P energy: -23.940
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -31.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -351.780115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.780115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.780115 (E_RNA)
where:
Base-Base interactions energy: -251.284
where: short stacking energy: -98.545
Base-Backbone interact. energy: -0.228
local terms energy: -100.267524
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -339.696384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.696384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.696384 (E_RNA)
where:
Base-Base interactions energy: -235.252
where: short stacking energy: -105.327
Base-Backbone interact. energy: -0.487
local terms energy: -103.957360
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -320.381966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.381966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.381966 (E_RNA)
where:
Base-Base interactions energy: -216.996
where: short stacking energy: -86.844
Base-Backbone interact. energy: 1.429
local terms energy: -104.815301
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -24.183
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: 80
Temperature: 1.150000
Total energy: -253.686622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.686622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.686622 (E_RNA)
where:
Base-Base interactions energy: -154.285
where: short stacking energy: -86.757
Base-Backbone interact. energy: -0.180
local terms energy: -99.221450
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -205.887021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.887021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.887021 (E_RNA)
where:
Base-Base interactions energy: -112.667
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.034
local terms energy: -93.186461
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -174.890091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.890091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.890091 (E_RNA)
where:
Base-Base interactions energy: -106.673
where: short stacking energy: -40.076
Base-Backbone interact. energy: -0.053
local terms energy: -68.164725
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -0.694
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: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -220.858579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.858579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.858579 (E_RNA)
where:
Base-Base interactions energy: -138.762
where: short stacking energy: -70.278
Base-Backbone interact. energy: 0.647
local terms energy: -82.743460
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -6.282
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: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -130.890917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.890917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.890917 (E_RNA)
where:
Base-Base interactions energy: -44.384
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.163
local terms energy: -86.343520
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -415.471405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.471405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.471405 (E_RNA)
where:
Base-Base interactions energy: -286.855
where: short stacking energy: -114.515
Base-Backbone interact. energy: -0.689
local terms energy: -127.927466
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -38.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -337.692869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.692869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.692869 (E_RNA)
where:
Base-Base interactions energy: -232.359
where: short stacking energy: -103.809
Base-Backbone interact. energy: -1.194
local terms energy: -104.139369
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -24.862
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: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -383.795761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.795761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.795761 (E_RNA)
where:
Base-Base interactions energy: -262.727
where: short stacking energy: -103.019
Base-Backbone interact. energy: -1.115
local terms energy: -119.952964
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -32.349
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: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -347.074599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.074599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.074599 (E_RNA)
where:
Base-Base interactions energy: -241.435
where: short stacking energy: -102.134
Base-Backbone interact. energy: -1.196
local terms energy: -104.443462
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -320.648105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.648105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.648105 (E_RNA)
where:
Base-Base interactions energy: -221.548
where: short stacking energy: -96.769
Base-Backbone interact. energy: -0.969
local terms energy: -98.131435
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -28.912
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: 81
Temperature: 1.150000
Total energy: -268.334161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.334161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.334161 (E_RNA)
where:
Base-Base interactions energy: -173.500
where: short stacking energy: -83.305
Base-Backbone interact. energy: -0.849
local terms energy: -93.985081
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -199.222880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.222880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.222880 (E_RNA)
where:
Base-Base interactions energy: -108.797
where: short stacking energy: -54.921
Base-Backbone interact. energy: -0.313
local terms energy: -90.113009
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -220.650581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.650581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.650581 (E_RNA)
where:
Base-Base interactions energy: -132.803
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.200
local terms energy: -87.647607
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -149.645132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.645132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.645132 (E_RNA)
where:
Base-Base interactions energy: -87.270
where: short stacking energy: -50.187
Base-Backbone interact. energy: -0.275
local terms energy: -62.100394
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -1.209
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: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -125.188356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.188356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.188356 (E_RNA)
where:
Base-Base interactions energy: -51.095
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.409
local terms energy: -73.684313
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -413.318749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.318749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.318749 (E_RNA)
where:
Base-Base interactions energy: -295.879
where: short stacking energy: -115.692
Base-Backbone interact. energy: -0.002
local terms energy: -117.438296
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -33.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -353.012804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.012804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.012804 (E_RNA)
where:
Base-Base interactions energy: -235.581
where: short stacking energy: -102.305
Base-Backbone interact. energy: -0.123
local terms energy: -117.308283
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -27.529
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: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -381.684437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.684437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.684437 (E_RNA)
where:
Base-Base interactions energy: -257.540
where: short stacking energy: -105.386
Base-Backbone interact. energy: -0.191
local terms energy: -123.953299
where:
bonds (distance) C4'-P energy: -26.340
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -34.228
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: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -355.841396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.841396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.841396 (E_RNA)
where:
Base-Base interactions energy: -241.430
where: short stacking energy: -109.223
Base-Backbone interact. energy: -0.940
local terms energy: -113.471467
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -30.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -313.370515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.370515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.370515 (E_RNA)
where:
Base-Base interactions energy: -207.066
where: short stacking energy: -88.384
Base-Backbone interact. energy: -1.136
local terms energy: -105.167924
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -276.678996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.678996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.678996 (E_RNA)
where:
Base-Base interactions energy: -174.401
where: short stacking energy: -88.384
Base-Backbone interact. energy: -0.281
local terms energy: -101.996869
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -23.431
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: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -253.296964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.296964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.296964 (E_RNA)
where:
Base-Base interactions energy: -164.930
where: short stacking energy: -78.969
Base-Backbone interact. energy: -0.029
local terms energy: -88.338173
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -7.568
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: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -229.080490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.080490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.080490 (E_RNA)
where:
Base-Base interactions energy: -147.978
where: short stacking energy: -73.119
Base-Backbone interact. energy: -0.195
local terms energy: -80.908253
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -12.121
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: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -121.282904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.282904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.282904 (E_RNA)
where:
Base-Base interactions energy: -58.438
where: short stacking energy: -27.284
Base-Backbone interact. energy: 1.506
local terms energy: -64.350879
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: 6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -157.157806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.157806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.157806 (E_RNA)
where:
Base-Base interactions energy: -89.458
where: short stacking energy: -47.840
Base-Backbone interact. energy: 0.116
local terms energy: -67.815981
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -415.030052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.030052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.030052 (E_RNA)
where:
Base-Base interactions energy: -288.786
where: short stacking energy: -124.666
Base-Backbone interact. energy: -0.359
local terms energy: -125.884785
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -37.941
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: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -398.039953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.039953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.039953 (E_RNA)
where:
Base-Base interactions energy: -274.210
where: short stacking energy: -106.498
Base-Backbone interact. energy: -0.214
local terms energy: -123.615651
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -352.891632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.891632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.891632 (E_RNA)
where:
Base-Base interactions energy: -238.592
where: short stacking energy: -106.193
Base-Backbone interact. energy: -0.654
local terms energy: -113.645547
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -26.154
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: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -346.845555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.845555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.845555 (E_RNA)
where:
Base-Base interactions energy: -239.014
where: short stacking energy: -101.455
Base-Backbone interact. energy: -0.383
local terms energy: -107.448632
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -27.369
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: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -336.357438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.357438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.357438 (E_RNA)
where:
Base-Base interactions energy: -233.259
where: short stacking energy: -95.526
Base-Backbone interact. energy: -0.336
local terms energy: -102.762294
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -27.821
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -280.733270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.733270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.733270 (E_RNA)
where:
Base-Base interactions energy: -187.740
where: short stacking energy: -89.971
Base-Backbone interact. energy: -0.115
local terms energy: -92.878772
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -258.949021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.949021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.949021 (E_RNA)
where:
Base-Base interactions energy: -166.556
where: short stacking energy: -80.642
Base-Backbone interact. energy: -0.941
local terms energy: -91.452032
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -18.113
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: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -221.265457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.265457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.265457 (E_RNA)
where:
Base-Base interactions energy: -134.311
where: short stacking energy: -71.716
Base-Backbone interact. energy: -0.560
local terms energy: -86.394487
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -119.467317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.467317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.467317 (E_RNA)
where:
Base-Base interactions energy: -45.994
where: short stacking energy: -45.768
Base-Backbone interact. energy: 0.206
local terms energy: -73.678870
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -2.474
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: 83
Temperature: 1.350000
Total energy: -109.112935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.112935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.112935 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -19.189
Base-Backbone interact. energy: 0.607
local terms energy: -73.290383
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -396.576481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.576481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.576481 (E_RNA)
where:
Base-Base interactions energy: -278.198
where: short stacking energy: -117.736
Base-Backbone interact. energy: 0.051
local terms energy: -118.429416
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -35.594
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -408.198624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.198624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.198624 (E_RNA)
where:
Base-Base interactions energy: -277.545
where: short stacking energy: -114.152
Base-Backbone interact. energy: -0.120
local terms energy: -130.533876
where:
bonds (distance) C4'-P energy: -29.420
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -35.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -353.798778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.798778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.798778 (E_RNA)
where:
Base-Base interactions energy: -235.946
where: short stacking energy: -108.627
Base-Backbone interact. energy: 0.901
local terms energy: -118.753737
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -29.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -359.245266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.245266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.245266 (E_RNA)
where:
Base-Base interactions energy: -247.130
where: short stacking energy: -101.815
Base-Backbone interact. energy: -0.129
local terms energy: -111.986427
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -336.257485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.257485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.257485 (E_RNA)
where:
Base-Base interactions energy: -230.351
where: short stacking energy: -104.361
Base-Backbone interact. energy: -2.079
local terms energy: -103.827843
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -27.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -270.012655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.012655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.012655 (E_RNA)
where:
Base-Base interactions energy: -174.008
where: short stacking energy: -74.267
Base-Backbone interact. energy: -0.400
local terms energy: -95.605511
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -244.274376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.274376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.274376 (E_RNA)
where:
Base-Base interactions energy: -164.261
where: short stacking energy: -59.183
Base-Backbone interact. energy: -0.390
local terms energy: -79.623077
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -219.271724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.271724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.271724 (E_RNA)
where:
Base-Base interactions energy: -132.875
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.597
local terms energy: -85.800122
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -112.025579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.025579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.025579 (E_RNA)
where:
Base-Base interactions energy: -46.798
where: short stacking energy: -46.523
Base-Backbone interact. energy: 1.573
local terms energy: -66.800594
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -118.757708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.757708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.757708 (E_RNA)
where:
Base-Base interactions energy: -48.813
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.700
local terms energy: -69.244720
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -3.651
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: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -394.217892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.217892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.217892 (E_RNA)
where:
Base-Base interactions energy: -271.834
where: short stacking energy: -119.202
Base-Backbone interact. energy: -0.045
local terms energy: -122.338709
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -37.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -421.025426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.025426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.025426 (E_RNA)
where:
Base-Base interactions energy: -293.522
where: short stacking energy: -118.465
Base-Backbone interact. energy: -0.249
local terms energy: -127.254105
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -27.358
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -36.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -355.656003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.656003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.656003 (E_RNA)
where:
Base-Base interactions energy: -239.082
where: short stacking energy: -100.875
Base-Backbone interact. energy: -0.018
local terms energy: -116.555522
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -30.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -344.061391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.061391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.061391 (E_RNA)
where:
Base-Base interactions energy: -237.931
where: short stacking energy: -106.382
Base-Backbone interact. energy: -0.921
local terms energy: -105.209368
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -27.234
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: 85
Temperature: 1.100000
Total energy: -345.026064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.026064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.026064 (E_RNA)
where:
Base-Base interactions energy: -229.282
where: short stacking energy: -98.962
Base-Backbone interact. energy: 0.417
local terms energy: -116.160871
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -29.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -264.786468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.786468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.786468 (E_RNA)
where:
Base-Base interactions energy: -162.116
where: short stacking energy: -92.982
Base-Backbone interact. energy: -0.118
local terms energy: -102.551799
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -199.413297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.413297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.413297 (E_RNA)
where:
Base-Base interactions energy: -109.762
where: short stacking energy: -66.776
Base-Backbone interact. energy: 0.368
local terms energy: -90.019283
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -12.501
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: 85
Temperature: 1.250000
Total energy: -136.623328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.623328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.623328 (E_RNA)
where:
Base-Base interactions energy: -62.717
where: short stacking energy: -43.912
Base-Backbone interact. energy: -0.039
local terms energy: -73.867832
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -4.640
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: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -180.590196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.590196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.590196 (E_RNA)
where:
Base-Base interactions energy: -89.542
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.048
local terms energy: -90.999466
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -12.845
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: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -119.793548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.793548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.793548 (E_RNA)
where:
Base-Base interactions energy: -55.227
where: short stacking energy: -28.751
Base-Backbone interact. energy: -0.903
local terms energy: -63.663840
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: 0.657
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: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -427.726290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.726290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.726290 (E_RNA)
where:
Base-Base interactions energy: -296.263
where: short stacking energy: -117.624
Base-Backbone interact. energy: 0.227
local terms energy: -131.690190
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -37.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -378.102353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.102353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.102353 (E_RNA)
where:
Base-Base interactions energy: -263.916
where: short stacking energy: -105.933
Base-Backbone interact. energy: -1.920
local terms energy: -112.266228
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -32.753
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: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -350.420663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.420663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.420663 (E_RNA)
where:
Base-Base interactions energy: -244.890
where: short stacking energy: -95.663
Base-Backbone interact. energy: -0.613
local terms energy: -104.917378
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -24.540
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: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -345.701491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.701491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.701491 (E_RNA)
where:
Base-Base interactions energy: -227.561
where: short stacking energy: -93.065
Base-Backbone interact. energy: -0.304
local terms energy: -117.836010
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -29.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -357.963845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.963845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.963845 (E_RNA)
where:
Base-Base interactions energy: -245.692
where: short stacking energy: -114.806
Base-Backbone interact. energy: -0.132
local terms energy: -112.140404
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -279.131696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.131696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.131696 (E_RNA)
where:
Base-Base interactions energy: -175.857
where: short stacking energy: -84.988
Base-Backbone interact. energy: -0.203
local terms energy: -103.072490
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -282.192209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.192209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.192209 (E_RNA)
where:
Base-Base interactions energy: -186.391
where: short stacking energy: -79.798
Base-Backbone interact. energy: -0.524
local terms energy: -95.277295
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -129.967576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.967576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.967576 (E_RNA)
where:
Base-Base interactions energy: -55.013
where: short stacking energy: -48.888
Base-Backbone interact. energy: -0.060
local terms energy: -74.895436
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -209.412218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.412218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.412218 (E_RNA)
where:
Base-Base interactions energy: -126.512
where: short stacking energy: -62.861
Base-Backbone interact. energy: 1.015
local terms energy: -83.915157
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -174.317221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.317221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.317221 (E_RNA)
where:
Base-Base interactions energy: -91.085
where: short stacking energy: -45.063
Base-Backbone interact. energy: -0.553
local terms energy: -82.679520
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -425.690013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.690013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.690013 (E_RNA)
where:
Base-Base interactions energy: -303.260
where: short stacking energy: -120.939
Base-Backbone interact. energy: -0.116
local terms energy: -122.314406
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -37.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -384.411254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.411254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.411254 (E_RNA)
where:
Base-Base interactions energy: -267.320
where: short stacking energy: -110.967
Base-Backbone interact. energy: -0.086
local terms energy: -117.005301
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -32.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -374.573080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.573080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.573080 (E_RNA)
where:
Base-Base interactions energy: -261.771
where: short stacking energy: -96.067
Base-Backbone interact. energy: -0.417
local terms energy: -112.385008
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -26.052
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: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -337.450177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.450177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.450177 (E_RNA)
where:
Base-Base interactions energy: -226.002
where: short stacking energy: -103.439
Base-Backbone interact. energy: 0.288
local terms energy: -111.736009
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -27.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -327.864581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.864581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.864581 (E_RNA)
where:
Base-Base interactions energy: -217.228
where: short stacking energy: -86.439
Base-Backbone interact. energy: -0.177
local terms energy: -110.459580
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -15.528
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: 6, replica: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -264.520904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.520904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.520904 (E_RNA)
where:
Base-Base interactions energy: -167.363
where: short stacking energy: -80.316
Base-Backbone interact. energy: 0.030
local terms energy: -97.188167
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -265.772767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.772767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.772767 (E_RNA)
where:
Base-Base interactions energy: -164.562
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.814
local terms energy: -100.397544
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -210.819412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.819412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.819412 (E_RNA)
where:
Base-Base interactions energy: -145.179
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.348
local terms energy: -65.293226
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -123.327311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.327311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.327311 (E_RNA)
where:
Base-Base interactions energy: -48.738
where: short stacking energy: -48.516
Base-Backbone interact. energy: 1.088
local terms energy: -75.677103
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -177.756545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.756545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.756545 (E_RNA)
where:
Base-Base interactions energy: -98.904
where: short stacking energy: -46.164
Base-Backbone interact. energy: 1.597
local terms energy: -80.449463
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -387.825203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.825203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.825203 (E_RNA)
where:
Base-Base interactions energy: -272.993
where: short stacking energy: -109.599
Base-Backbone interact. energy: -0.112
local terms energy: -114.720434
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -29.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -406.438025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.438025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.438025 (E_RNA)
where:
Base-Base interactions energy: -288.388
where: short stacking energy: -117.212
Base-Backbone interact. energy: -0.603
local terms energy: -117.447116
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -33.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -408.526586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.526586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.526586 (E_RNA)
where:
Base-Base interactions energy: -290.771
where: short stacking energy: -115.669
Base-Backbone interact. energy: -0.527
local terms energy: -117.228746
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -27.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -351.099845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.099845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.099845 (E_RNA)
where:
Base-Base interactions energy: -238.372
where: short stacking energy: -99.971
Base-Backbone interact. energy: -0.431
local terms energy: -112.296668
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -327.131373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.131373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.131373 (E_RNA)
where:
Base-Base interactions energy: -215.818
where: short stacking energy: -98.499
Base-Backbone interact. energy: -0.457
local terms energy: -110.856255
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -26.770
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: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -275.835641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.835641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.835641 (E_RNA)
where:
Base-Base interactions energy: -173.383
where: short stacking energy: -88.348
Base-Backbone interact. energy: -0.055
local terms energy: -102.397207
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -243.408872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.408872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.408872 (E_RNA)
where:
Base-Base interactions energy: -144.138
where: short stacking energy: -77.963
Base-Backbone interact. energy: -0.505
local terms energy: -98.765363
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -235.612865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.612865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.612865 (E_RNA)
where:
Base-Base interactions energy: -130.577
where: short stacking energy: -68.541
Base-Backbone interact. energy: -0.017
local terms energy: -105.018306
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -186.592125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.592125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.592125 (E_RNA)
where:
Base-Base interactions energy: -98.160
where: short stacking energy: -57.262
Base-Backbone interact. energy: 1.558
local terms energy: -89.989772
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -121.300823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.300823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.300823 (E_RNA)
where:
Base-Base interactions energy: -44.447
where: short stacking energy: -29.721
Base-Backbone interact. energy: -0.287
local terms energy: -76.566823
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -386.307276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.307276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.307276 (E_RNA)
where:
Base-Base interactions energy: -263.091
where: short stacking energy: -102.732
Base-Backbone interact. energy: -1.143
local terms energy: -122.073756
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -410.284017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.284017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.284017 (E_RNA)
where:
Base-Base interactions energy: -288.052
where: short stacking energy: -119.266
Base-Backbone interact. energy: -0.027
local terms energy: -122.205838
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -37.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -389.541644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.541644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.541644 (E_RNA)
where:
Base-Base interactions energy: -278.322
where: short stacking energy: -105.189
Base-Backbone interact. energy: -0.487
local terms energy: -110.732406
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -28.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -351.828791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.828791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.828791 (E_RNA)
where:
Base-Base interactions energy: -240.818
where: short stacking energy: -104.752
Base-Backbone interact. energy: 0.042
local terms energy: -111.052573
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -26.302
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: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -334.770811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.770811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.770811 (E_RNA)
where:
Base-Base interactions energy: -227.054
where: short stacking energy: -102.147
Base-Backbone interact. energy: -0.851
local terms energy: -106.866222
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -306.040753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.040753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.040753 (E_RNA)
where:
Base-Base interactions energy: -216.179
where: short stacking energy: -93.164
Base-Backbone interact. energy: -0.245
local terms energy: -89.616999
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -22.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -271.101597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.101597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.101597 (E_RNA)
where:
Base-Base interactions energy: -173.502
where: short stacking energy: -79.331
Base-Backbone interact. energy: -0.194
local terms energy: -97.406102
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -11.147
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: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -176.732272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732272 (E_RNA)
where:
Base-Base interactions energy: -94.539
where: short stacking energy: -51.643
Base-Backbone interact. energy: -1.384
local terms energy: -80.809266
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -175.997678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.997678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.997678 (E_RNA)
where:
Base-Base interactions energy: -107.575
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.090
local terms energy: -68.333280
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -170.088539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.088539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.088539 (E_RNA)
where:
Base-Base interactions energy: -97.502
where: short stacking energy: -47.303
Base-Backbone interact. energy: 3.471
local terms energy: -76.057736
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -418.612056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.612056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.612056 (E_RNA)
where:
Base-Base interactions energy: -289.280
where: short stacking energy: -122.906
Base-Backbone interact. energy: -0.175
local terms energy: -129.157544
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -39.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -390.238360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.238360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.238360 (E_RNA)
where:
Base-Base interactions energy: -269.289
where: short stacking energy: -115.784
Base-Backbone interact. energy: -0.071
local terms energy: -120.878000
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -36.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -392.817379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.817379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.817379 (E_RNA)
where:
Base-Base interactions energy: -280.081
where: short stacking energy: -110.203
Base-Backbone interact. energy: -0.093
local terms energy: -112.643179
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -28.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -354.649233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.649233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.649233 (E_RNA)
where:
Base-Base interactions energy: -245.709
where: short stacking energy: -102.444
Base-Backbone interact. energy: -0.300
local terms energy: -108.640004
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -285.801814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.801814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.801814 (E_RNA)
where:
Base-Base interactions energy: -192.814
where: short stacking energy: -80.539
Base-Backbone interact. energy: -0.372
local terms energy: -92.615721
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -304.400942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.400942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.400942 (E_RNA)
where:
Base-Base interactions energy: -214.892
where: short stacking energy: -82.810
Base-Backbone interact. energy: 0.686
local terms energy: -90.194577
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -272.671615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.671615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.671615 (E_RNA)
where:
Base-Base interactions energy: -166.228
where: short stacking energy: -91.032
Base-Backbone interact. energy: -0.238
local terms energy: -106.205789
where:
bonds (distance) C4'-P energy: -24.431
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -26.306
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: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -200.101345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.101345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.101345 (E_RNA)
where:
Base-Base interactions energy: -122.264
where: short stacking energy: -55.547
Base-Backbone interact. energy: -0.407
local terms energy: -77.430998
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -189.182521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.182521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.182521 (E_RNA)
where:
Base-Base interactions energy: -109.939
where: short stacking energy: -53.632
Base-Backbone interact. energy: -1.284
local terms energy: -77.960241
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -179.818884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.818884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.818884 (E_RNA)
where:
Base-Base interactions energy: -110.489
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.260
local terms energy: -69.069889
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -10.194
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: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -412.847626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.847626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.847626 (E_RNA)
where:
Base-Base interactions energy: -286.994
where: short stacking energy: -116.037
Base-Backbone interact. energy: -0.067
local terms energy: -125.786923
where:
bonds (distance) C4'-P energy: -25.508
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -37.212
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: 91
Temperature: 0.950000
Total energy: -405.204750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.204750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.204750 (E_RNA)
where:
Base-Base interactions energy: -282.357
where: short stacking energy: -107.082
Base-Backbone interact. energy: -0.549
local terms energy: -122.298826
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -27.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -384.652644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.652644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.652644 (E_RNA)
where:
Base-Base interactions energy: -260.553
where: short stacking energy: -109.286
Base-Backbone interact. energy: -1.786
local terms energy: -122.314143
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -26.152
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -31.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -348.719216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.719216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.719216 (E_RNA)
where:
Base-Base interactions energy: -254.879
where: short stacking energy: -95.742
Base-Backbone interact. energy: -1.026
local terms energy: -92.813823
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -20.243
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: 91
Temperature: 1.100000
Total energy: -298.929920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.929920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.929920 (E_RNA)
where:
Base-Base interactions energy: -209.571
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.307
local terms energy: -89.052821
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -10.736
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: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -309.960134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.960134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.960134 (E_RNA)
where:
Base-Base interactions energy: -208.241
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.125
local terms energy: -101.594361
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -246.324308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.324308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.324308 (E_RNA)
where:
Base-Base interactions energy: -161.604
where: short stacking energy: -77.235
Base-Backbone interact. energy: -0.187
local terms energy: -84.533578
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -23.163
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: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -227.899734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.899734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.899734 (E_RNA)
where:
Base-Base interactions energy: -131.755
where: short stacking energy: -62.134
Base-Backbone interact. energy: -1.050
local terms energy: -95.094899
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -12.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -176.335114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.335114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.335114 (E_RNA)
where:
Base-Base interactions energy: -101.660
where: short stacking energy: -56.613
Base-Backbone interact. energy: 0.244
local terms energy: -74.918970
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -178.416706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.416706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.416706 (E_RNA)
where:
Base-Base interactions energy: -97.197
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.445
local terms energy: -80.774550
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -397.656240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.656240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.656240 (E_RNA)
where:
Base-Base interactions energy: -285.441
where: short stacking energy: -108.778
Base-Backbone interact. energy: 3.032
local terms energy: -115.246753
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -413.246874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.246874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.246874 (E_RNA)
where:
Base-Base interactions energy: -288.175
where: short stacking energy: -113.786
Base-Backbone interact. energy: -0.002
local terms energy: -125.070517
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -38.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -376.978000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.978000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.978000 (E_RNA)
where:
Base-Base interactions energy: -263.108
where: short stacking energy: -109.937
Base-Backbone interact. energy: -0.119
local terms energy: -113.750970
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -27.692
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: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -335.397480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.397480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.397480 (E_RNA)
where:
Base-Base interactions energy: -230.045
where: short stacking energy: -85.530
Base-Backbone interact. energy: -0.222
local terms energy: -105.130359
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -318.181559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.181559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.181559 (E_RNA)
where:
Base-Base interactions energy: -215.085
where: short stacking energy: -95.229
Base-Backbone interact. energy: 0.097
local terms energy: -103.192673
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -305.089120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.089120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.089120 (E_RNA)
where:
Base-Base interactions energy: -204.445
where: short stacking energy: -90.178
Base-Backbone interact. energy: -0.527
local terms energy: -100.116338
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -253.188341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.188341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.188341 (E_RNA)
where:
Base-Base interactions energy: -148.456
where: short stacking energy: -92.150
Base-Backbone interact. energy: -0.081
local terms energy: -104.650775
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -17.012
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: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -171.462553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.462553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.462553 (E_RNA)
where:
Base-Base interactions energy: -93.196
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.184
local terms energy: -78.082351
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -3.117
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: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -202.723977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.723977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.723977 (E_RNA)
where:
Base-Base interactions energy: -109.215
where: short stacking energy: -70.955
Base-Backbone interact. energy: -0.154
local terms energy: -93.354960
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -173.486927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.486927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.486927 (E_RNA)
where:
Base-Base interactions energy: -93.090
where: short stacking energy: -50.343
Base-Backbone interact. energy: -0.021
local terms energy: -80.375727
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -11.059
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: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -388.505786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.505786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.505786 (E_RNA)
where:
Base-Base interactions energy: -272.762
where: short stacking energy: -104.054
Base-Backbone interact. energy: -0.828
local terms energy: -114.915305
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -28.340
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: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -413.706738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.706738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.706738 (E_RNA)
where:
Base-Base interactions energy: -293.516
where: short stacking energy: -118.389
Base-Backbone interact. energy: -0.152
local terms energy: -120.038621
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -38.508
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: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -386.098206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.098206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.098206 (E_RNA)
where:
Base-Base interactions energy: -266.501
where: short stacking energy: -105.995
Base-Backbone interact. energy: -0.935
local terms energy: -118.662748
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -33.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -346.739486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.739486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.739486 (E_RNA)
where:
Base-Base interactions energy: -230.253
where: short stacking energy: -101.650
Base-Backbone interact. energy: 0.204
local terms energy: -116.689988
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -28.264
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: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -322.295088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.295088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.295088 (E_RNA)
where:
Base-Base interactions energy: -227.478
where: short stacking energy: -98.609
Base-Backbone interact. energy: -0.667
local terms energy: -94.149903
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -26.067
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: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -271.198682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.198682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.198682 (E_RNA)
where:
Base-Base interactions energy: -182.251
where: short stacking energy: -82.925
Base-Backbone interact. energy: -0.161
local terms energy: -88.787171
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -242.245572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.245572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.245572 (E_RNA)
where:
Base-Base interactions energy: -159.845
where: short stacking energy: -79.592
Base-Backbone interact. energy: -0.194
local terms energy: -82.207221
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -206.802818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.802818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.802818 (E_RNA)
where:
Base-Base interactions energy: -111.930
where: short stacking energy: -63.200
Base-Backbone interact. energy: -0.322
local terms energy: -94.551164
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -171.106233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.106233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.106233 (E_RNA)
where:
Base-Base interactions energy: -88.489
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.528
local terms energy: -82.089764
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -199.245006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.245006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.245006 (E_RNA)
where:
Base-Base interactions energy: -118.854
where: short stacking energy: -59.387
Base-Backbone interact. energy: -0.088
local terms energy: -80.302946
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -10.782
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: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -434.494266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.494266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.494266 (E_RNA)
where:
Base-Base interactions energy: -308.181
where: short stacking energy: -127.493
Base-Backbone interact. energy: -0.026
local terms energy: -126.287718
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -39.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -409.703962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.703962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.703962 (E_RNA)
where:
Base-Base interactions energy: -295.865
where: short stacking energy: -117.933
Base-Backbone interact. energy: -0.992
local terms energy: -112.846934
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -30.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -381.459146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.459146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.459146 (E_RNA)
where:
Base-Base interactions energy: -260.757
where: short stacking energy: -111.595
Base-Backbone interact. energy: -0.396
local terms energy: -120.306751
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -35.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -309.078617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.078617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.078617 (E_RNA)
where:
Base-Base interactions energy: -193.133
where: short stacking energy: -90.558
Base-Backbone interact. energy: -0.993
local terms energy: -114.952845
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -328.723562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.723562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.723562 (E_RNA)
where:
Base-Base interactions energy: -231.093
where: short stacking energy: -92.779
Base-Backbone interact. energy: -0.182
local terms energy: -97.448070
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -24.871
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: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -284.577486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.577486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.577486 (E_RNA)
where:
Base-Base interactions energy: -199.937
where: short stacking energy: -79.720
Base-Backbone interact. energy: -0.553
local terms energy: -84.087885
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -248.111778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.111778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.111778 (E_RNA)
where:
Base-Base interactions energy: -151.708
where: short stacking energy: -83.153
Base-Backbone interact. energy: -0.272
local terms energy: -96.132263
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -192.421324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.421324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.421324 (E_RNA)
where:
Base-Base interactions energy: -112.569
where: short stacking energy: -54.809
Base-Backbone interact. energy: -0.426
local terms energy: -79.426144
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -4.859
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: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -207.033757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.033757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.033757 (E_RNA)
where:
Base-Base interactions energy: -133.793
where: short stacking energy: -61.500
Base-Backbone interact. energy: 3.262
local terms energy: -76.502719
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -10.061
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: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -180.176586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.176586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.176586 (E_RNA)
where:
Base-Base interactions energy: -108.880
where: short stacking energy: -44.205
Base-Backbone interact. energy: -0.413
local terms energy: -70.883554
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -418.177472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.177472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.177472 (E_RNA)
where:
Base-Base interactions energy: -291.727
where: short stacking energy: -117.472
Base-Backbone interact. energy: -0.084
local terms energy: -126.366995
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -37.833
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: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -381.269600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.269600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.269600 (E_RNA)
where:
Base-Base interactions energy: -261.780
where: short stacking energy: -109.623
Base-Backbone interact. energy: -0.650
local terms energy: -118.840275
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -33.518
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: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -393.721979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.721979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.721979 (E_RNA)
where:
Base-Base interactions energy: -270.151
where: short stacking energy: -110.403
Base-Backbone interact. energy: -0.461
local terms energy: -123.110443
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -32.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -339.672330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.672330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.672330 (E_RNA)
where:
Base-Base interactions energy: -229.951
where: short stacking energy: -99.858
Base-Backbone interact. energy: -0.572
local terms energy: -109.149031
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -27.206
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: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -312.435710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.435710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.435710 (E_RNA)
where:
Base-Base interactions energy: -205.837
where: short stacking energy: -103.317
Base-Backbone interact. energy: 1.071
local terms energy: -107.669455
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -26.735
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: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -282.547070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.547070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.547070 (E_RNA)
where:
Base-Base interactions energy: -168.329
where: short stacking energy: -78.834
Base-Backbone interact. energy: -1.375
local terms energy: -112.843137
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -231.949906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.949906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.949906 (E_RNA)
where:
Base-Base interactions energy: -136.525
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.349
local terms energy: -95.075280
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -13.783
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: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -195.800650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.800650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.800650 (E_RNA)
where:
Base-Base interactions energy: -108.240
where: short stacking energy: -49.000
Base-Backbone interact. energy: -0.321
local terms energy: -87.239149
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -190.141856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.141856 (E_RNA)
where:
Base-Base interactions energy: -109.122
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.129
local terms energy: -80.890306
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -9.945
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: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -180.505231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.505231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.505231 (E_RNA)
where:
Base-Base interactions energy: -101.413
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.300
local terms energy: -78.791960
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -14.335
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: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -419.223745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.223745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.223745 (E_RNA)
where:
Base-Base interactions energy: -287.097
where: short stacking energy: -121.890
Base-Backbone interact. energy: -0.317
local terms energy: -131.809710
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -39.433
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: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -380.439511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.439511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.439511 (E_RNA)
where:
Base-Base interactions energy: -263.804
where: short stacking energy: -115.091
Base-Backbone interact. energy: 2.419
local terms energy: -119.054207
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -32.187
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: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -382.952640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.952640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.952640 (E_RNA)
where:
Base-Base interactions energy: -268.102
where: short stacking energy: -101.859
Base-Backbone interact. energy: -0.670
local terms energy: -114.180404
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -28.803
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: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -351.239815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.239815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.239815 (E_RNA)
where:
Base-Base interactions energy: -232.572
where: short stacking energy: -98.418
Base-Backbone interact. energy: -0.250
local terms energy: -118.417764
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -32.242
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: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -281.082841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.082841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.082841 (E_RNA)
where:
Base-Base interactions energy: -185.139
where: short stacking energy: -85.528
Base-Backbone interact. energy: 0.000
local terms energy: -95.943927
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -299.066204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.066204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.066204 (E_RNA)
where:
Base-Base interactions energy: -188.369
where: short stacking energy: -95.583
Base-Backbone interact. energy: 0.610
local terms energy: -111.307900
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -236.914221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.914221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.914221 (E_RNA)
where:
Base-Base interactions energy: -154.989
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.153
local terms energy: -81.771538
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -203.042492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.042492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.042492 (E_RNA)
where:
Base-Base interactions energy: -124.655
where: short stacking energy: -64.965
Base-Backbone interact. energy: -0.293
local terms energy: -78.094519
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -214.124176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.124176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.124176 (E_RNA)
where:
Base-Base interactions energy: -121.253
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.295
local terms energy: -92.576872
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -177.939791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.939791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.939791 (E_RNA)
where:
Base-Base interactions energy: -98.245
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.336
local terms energy: -79.359526
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -25.270
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -412.182670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.182670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.182670 (E_RNA)
where:
Base-Base interactions energy: -289.354
where: short stacking energy: -115.716
Base-Backbone interact. energy: 0.276
local terms energy: -123.104673
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -37.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -390.890271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.890271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.890271 (E_RNA)
where:
Base-Base interactions energy: -266.462
where: short stacking energy: -112.486
Base-Backbone interact. energy: -0.992
local terms energy: -123.435624
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -36.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -391.094830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.094830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.094830 (E_RNA)
where:
Base-Base interactions energy: -275.841
where: short stacking energy: -106.939
Base-Backbone interact. energy: -0.379
local terms energy: -114.875436
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -32.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -351.456140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.456140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.456140 (E_RNA)
where:
Base-Base interactions energy: -252.724
where: short stacking energy: -103.807
Base-Backbone interact. energy: -0.235
local terms energy: -98.496661
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -27.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -306.916798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.916798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.916798 (E_RNA)
where:
Base-Base interactions energy: -206.424
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.230
local terms energy: -100.262645
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -24.297
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: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -304.862543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.862543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.862543 (E_RNA)
where:
Base-Base interactions energy: -189.365
where: short stacking energy: -93.987
Base-Backbone interact. energy: 0.164
local terms energy: -115.661031
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -273.321808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.321808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.321808 (E_RNA)
where:
Base-Base interactions energy: -180.789
where: short stacking energy: -78.380
Base-Backbone interact. energy: -0.352
local terms energy: -92.181048
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -210.807225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.807225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.807225 (E_RNA)
where:
Base-Base interactions energy: -123.364
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.322
local terms energy: -87.121265
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -12.255
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: 97
Temperature: 1.300000
Total energy: -194.900801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.900801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.900801 (E_RNA)
where:
Base-Base interactions energy: -119.995
where: short stacking energy: -49.753
Base-Backbone interact. energy: -1.812
local terms energy: -73.093676
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -165.692797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.692797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.692797 (E_RNA)
where:
Base-Base interactions energy: -87.966
where: short stacking energy: -54.158
Base-Backbone interact. energy: -0.119
local terms energy: -77.606946
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -415.537558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.537558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.537558 (E_RNA)
where:
Base-Base interactions energy: -286.644
where: short stacking energy: -120.071
Base-Backbone interact. energy: 0.357
local terms energy: -129.249635
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -391.053257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.053257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.053257 (E_RNA)
where:
Base-Base interactions energy: -272.804
where: short stacking energy: -104.032
Base-Backbone interact. energy: -3.754
local terms energy: -114.495518
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -383.323464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.323464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.323464 (E_RNA)
where:
Base-Base interactions energy: -268.489
where: short stacking energy: -112.370
Base-Backbone interact. energy: -0.190
local terms energy: -114.644661
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -29.842
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: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -362.902340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.902340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.902340 (E_RNA)
where:
Base-Base interactions energy: -248.825
where: short stacking energy: -102.939
Base-Backbone interact. energy: -0.357
local terms energy: -113.720546
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -27.687
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: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -305.877890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.877890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.877890 (E_RNA)
where:
Base-Base interactions energy: -200.694
where: short stacking energy: -96.952
Base-Backbone interact. energy: -0.213
local terms energy: -104.971275
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -288.075022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.075022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.075022 (E_RNA)
where:
Base-Base interactions energy: -182.098
where: short stacking energy: -76.315
Base-Backbone interact. energy: -0.330
local terms energy: -105.647157
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -21.984
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: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -289.056517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.056517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.056517 (E_RNA)
where:
Base-Base interactions energy: -194.886
where: short stacking energy: -74.340
Base-Backbone interact. energy: -0.214
local terms energy: -93.956687
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -16.773
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: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -210.516972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.516972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.516972 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -69.931
Base-Backbone interact. energy: -0.216
local terms energy: -90.215111
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -181.009491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.009491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.009491 (E_RNA)
where:
Base-Base interactions energy: -109.076
where: short stacking energy: -56.443
Base-Backbone interact. energy: -0.290
local terms energy: -71.643816
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -16.276
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: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -195.974234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.974234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.974234 (E_RNA)
where:
Base-Base interactions energy: -110.023
where: short stacking energy: -46.173
Base-Backbone interact. energy: 0.441
local terms energy: -86.392749
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -414.418962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.418962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.418962 (E_RNA)
where:
Base-Base interactions energy: -291.122
where: short stacking energy: -116.709
Base-Backbone interact. energy: 0.629
local terms energy: -123.925701
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -35.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -389.564088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.564088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.564088 (E_RNA)
where:
Base-Base interactions energy: -267.708
where: short stacking energy: -108.457
Base-Backbone interact. energy: -0.565
local terms energy: -121.290714
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -30.759
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: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -379.490782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.490782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.490782 (E_RNA)
where:
Base-Base interactions energy: -258.384
where: short stacking energy: -112.544
Base-Backbone interact. energy: -0.540
local terms energy: -120.566591
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -32.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -336.639310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.639310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.639310 (E_RNA)
where:
Base-Base interactions energy: -234.347
where: short stacking energy: -103.608
Base-Backbone interact. energy: 1.257
local terms energy: -103.549148
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -23.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -329.382156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.382156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.382156 (E_RNA)
where:
Base-Base interactions energy: -231.064
where: short stacking energy: -98.106
Base-Backbone interact. energy: -0.536
local terms energy: -97.782052
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -24.555
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: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -295.789444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.789444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.789444 (E_RNA)
where:
Base-Base interactions energy: -206.102
where: short stacking energy: -93.244
Base-Backbone interact. energy: -0.355
local terms energy: -89.331961
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -251.941411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.941411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.941411 (E_RNA)
where:
Base-Base interactions energy: -171.472
where: short stacking energy: -70.027
Base-Backbone interact. energy: 0.170
local terms energy: -80.638711
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -198.823595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.823595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.823595 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -67.530
Base-Backbone interact. energy: 0.401
local terms energy: -91.801456
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -198.492413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.492413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.492413 (E_RNA)
where:
Base-Base interactions energy: -112.601
where: short stacking energy: -62.743
Base-Backbone interact. energy: -0.370
local terms energy: -85.521818
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -15.374
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: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -210.713526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.713526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.713526 (E_RNA)
where:
Base-Base interactions energy: -123.055
where: short stacking energy: -66.742
Base-Backbone interact. energy: -0.228
local terms energy: -87.431150
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -435.036561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.036561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.036561 (E_RNA)
where:
Base-Base interactions energy: -312.816
where: short stacking energy: -130.596
Base-Backbone interact. energy: -0.009
local terms energy: -122.211075
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -39.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -382.146110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.146110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.146110 (E_RNA)
where:
Base-Base interactions energy: -264.605
where: short stacking energy: -106.527
Base-Backbone interact. energy: -0.266
local terms energy: -117.275354
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -26.841
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: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -386.599394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.599394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.599394 (E_RNA)
where:
Base-Base interactions energy: -271.653
where: short stacking energy: -102.135
Base-Backbone interact. energy: -1.977
local terms energy: -112.969600
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -32.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -329.650016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.650016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.650016 (E_RNA)
where:
Base-Base interactions energy: -220.737
where: short stacking energy: -91.079
Base-Backbone interact. energy: -0.715
local terms energy: -108.197945
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -24.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -352.263945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.263945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.263945 (E_RNA)
where:
Base-Base interactions energy: -243.148
where: short stacking energy: -100.783
Base-Backbone interact. energy: -0.317
local terms energy: -108.799246
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -26.610
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: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -323.355345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.355345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.355345 (E_RNA)
where:
Base-Base interactions energy: -226.194
where: short stacking energy: -101.021
Base-Backbone interact. energy: 0.435
local terms energy: -97.596592
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -27.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -241.776918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.776918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.776918 (E_RNA)
where:
Base-Base interactions energy: -158.197
where: short stacking energy: -78.847
Base-Backbone interact. energy: -0.453
local terms energy: -83.127485
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -17.585
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: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -190.514304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.514304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.514304 (E_RNA)
where:
Base-Base interactions energy: -113.238
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.764
local terms energy: -76.512148
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -193.384153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.384153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.384153 (E_RNA)
where:
Base-Base interactions energy: -107.231
where: short stacking energy: -55.688
Base-Backbone interact. energy: -1.387
local terms energy: -84.766131
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -7.422
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: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -183.915126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.915126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.915126 (E_RNA)
where:
Base-Base interactions energy: -103.843
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.225
local terms energy: -79.847373
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -9.534
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: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -417.161763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.161763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.161763 (E_RNA)
where:
Base-Base interactions energy: -294.999
where: short stacking energy: -121.475
Base-Backbone interact. energy: -0.102
local terms energy: -122.061346
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -37.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -375.461541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.461541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.461541 (E_RNA)
where:
Base-Base interactions energy: -266.380
where: short stacking energy: -115.154
Base-Backbone interact. energy: -0.148
local terms energy: -108.932906
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -27.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -377.773656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.773656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.773656 (E_RNA)
where:
Base-Base interactions energy: -264.988
where: short stacking energy: -106.331
Base-Backbone interact. energy: -0.120
local terms energy: -112.665277
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -32.033
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: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -366.902643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.902643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.902643 (E_RNA)
where:
Base-Base interactions energy: -256.634
where: short stacking energy: -102.691
Base-Backbone interact. energy: -0.227
local terms energy: -110.041961
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -29.752
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -335.107685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.107685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.107685 (E_RNA)
where:
Base-Base interactions energy: -228.368
where: short stacking energy: -103.124
Base-Backbone interact. energy: -0.243
local terms energy: -106.496218
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -311.069958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.069958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.069958 (E_RNA)
where:
Base-Base interactions energy: -210.340
where: short stacking energy: -96.833
Base-Backbone interact. energy: 0.033
local terms energy: -100.763130
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -26.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -240.877542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.877542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.877542 (E_RNA)
where:
Base-Base interactions energy: -148.611
where: short stacking energy: -71.022
Base-Backbone interact. energy: 0.037
local terms energy: -92.303736
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -20.213
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: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -196.851380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.851380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.851380 (E_RNA)
where:
Base-Base interactions energy: -121.832
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.137
local terms energy: -74.882449
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -15.840
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: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -129.874105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.874105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.874105 (E_RNA)
where:
Base-Base interactions energy: -46.009
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.774
local terms energy: -83.090898
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -175.028727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.028727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.028727 (E_RNA)
where:
Base-Base interactions energy: -99.176
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.284
local terms energy: -75.568957
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -3.034
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: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -413.148731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.148731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.148731 (E_RNA)
where:
Base-Base interactions energy: -287.978
where: short stacking energy: -116.854
Base-Backbone interact. energy: -0.217
local terms energy: -124.954164
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -37.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -375.115321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.115321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.115321 (E_RNA)
where:
Base-Base interactions energy: -262.369
where: short stacking energy: -108.360
Base-Backbone interact. energy: -0.549
local terms energy: -112.197557
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -27.154
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: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -361.949534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.949534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.949534 (E_RNA)
where:
Base-Base interactions energy: -250.640
where: short stacking energy: -101.378
Base-Backbone interact. energy: -0.234
local terms energy: -111.075253
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -30.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -369.747368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.747368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.747368 (E_RNA)
where:
Base-Base interactions energy: -257.104
where: short stacking energy: -109.844
Base-Backbone interact. energy: -0.112
local terms energy: -112.530748
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -33.829
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: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -304.147898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.147898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.147898 (E_RNA)
where:
Base-Base interactions energy: -197.713
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.485
local terms energy: -105.949532
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -327.406595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.406595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.406595 (E_RNA)
where:
Base-Base interactions energy: -226.010
where: short stacking energy: -86.082
Base-Backbone interact. energy: 0.075
local terms energy: -101.471090
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -216.119386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.119386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.119386 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.075
local terms energy: -95.138049
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -209.283144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.283144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.283144 (E_RNA)
where:
Base-Base interactions energy: -110.625
where: short stacking energy: -56.489
Base-Backbone interact. energy: -1.035
local terms energy: -97.623375
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -15.456
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: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -193.649506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.649506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.649506 (E_RNA)
where:
Base-Base interactions energy: -112.943
where: short stacking energy: -54.588
Base-Backbone interact. energy: -0.311
local terms energy: -80.394745
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -120.443831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.443831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.443831 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -36.967
Base-Backbone interact. energy: -0.113
local terms energy: -83.276445
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -426.522367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.522367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.522367 (E_RNA)
where:
Base-Base interactions energy: -297.609
where: short stacking energy: -118.134
Base-Backbone interact. energy: -1.390
local terms energy: -127.523627
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -39.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -389.483835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.483835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.483835 (E_RNA)
where:
Base-Base interactions energy: -277.860
where: short stacking energy: -97.590
Base-Backbone interact. energy: -0.578
local terms energy: -111.046132
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -27.659
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: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -373.545753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.545753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.545753 (E_RNA)
where:
Base-Base interactions energy: -254.173
where: short stacking energy: -109.579
Base-Backbone interact. energy: -1.252
local terms energy: -118.120893
where:
bonds (distance) C4'-P energy: -26.187
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -30.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -377.816040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.816040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.816040 (E_RNA)
where:
Base-Base interactions energy: -268.463
where: short stacking energy: -120.009
Base-Backbone interact. energy: -0.108
local terms energy: -109.245207
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -32.782
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: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -313.501872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.501872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.501872 (E_RNA)
where:
Base-Base interactions energy: -214.346
where: short stacking energy: -98.108
Base-Backbone interact. energy: -0.212
local terms energy: -98.943543
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -22.429
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: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -317.881626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.881626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.881626 (E_RNA)
where:
Base-Base interactions energy: -213.418
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.345
local terms energy: -104.119417
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -20.873
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -217.593784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.593784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.593784 (E_RNA)
where:
Base-Base interactions energy: -129.791
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.295
local terms energy: -87.507648
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -203.285513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.285513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.285513 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -70.184
Base-Backbone interact. energy: 1.044
local terms energy: -81.363926
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -224.279352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.279352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.279352 (E_RNA)
where:
Base-Base interactions energy: -134.190
where: short stacking energy: -63.723
Base-Backbone interact. energy: 0.088
local terms energy: -90.177355
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -114.739974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.739974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.739974 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.566
local terms energy: -80.741406
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -430.268111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.268111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.268111 (E_RNA)
where:
Base-Base interactions energy: -305.533
where: short stacking energy: -126.150
Base-Backbone interact. energy: -0.463
local terms energy: -124.272569
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -37.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -400.682292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.682292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.682292 (E_RNA)
where:
Base-Base interactions energy: -278.780
where: short stacking energy: -111.412
Base-Backbone interact. energy: -0.471
local terms energy: -121.431834
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -31.092
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: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -372.328230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.328230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.328230 (E_RNA)
where:
Base-Base interactions energy: -256.614
where: short stacking energy: -108.099
Base-Backbone interact. energy: -0.430
local terms energy: -115.284205
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -34.485
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: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -344.538236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.538236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.538236 (E_RNA)
where:
Base-Base interactions energy: -235.749
where: short stacking energy: -93.549
Base-Backbone interact. energy: -0.231
local terms energy: -108.558241
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -28.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -325.186511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.186511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.186511 (E_RNA)
where:
Base-Base interactions energy: -216.744
where: short stacking energy: -102.753
Base-Backbone interact. energy: -0.593
local terms energy: -107.848997
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -305.922506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.922506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.922506 (E_RNA)
where:
Base-Base interactions energy: -203.144
where: short stacking energy: -90.725
Base-Backbone interact. energy: -0.200
local terms energy: -102.578545
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -14.723
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: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -202.199325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199325 (E_RNA)
where:
Base-Base interactions energy: -119.162
where: short stacking energy: -60.975
Base-Backbone interact. energy: 0.269
local terms energy: -83.306648
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -12.664
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: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -199.151371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.151371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.151371 (E_RNA)
where:
Base-Base interactions energy: -109.860
where: short stacking energy: -60.751
Base-Backbone interact. energy: 0.105
local terms energy: -89.396210
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -17.094
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: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -124.791494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.791494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.791494 (E_RNA)
where:
Base-Base interactions energy: -58.372
where: short stacking energy: -56.046
Base-Backbone interact. energy: -0.181
local terms energy: -66.239286
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -204.016164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.016164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.016164 (E_RNA)
where:
Base-Base interactions energy: -137.488
where: short stacking energy: -58.550
Base-Backbone interact. energy: -1.501
local terms energy: -65.027925
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -419.774106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.774106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.774106 (E_RNA)
where:
Base-Base interactions energy: -297.076
where: short stacking energy: -118.380
Base-Backbone interact. energy: 0.230
local terms energy: -122.927906
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -36.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -385.784980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.784980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.784980 (E_RNA)
where:
Base-Base interactions energy: -264.335
where: short stacking energy: -111.567
Base-Backbone interact. energy: -0.049
local terms energy: -121.400896
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -35.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -391.417747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.417747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.417747 (E_RNA)
where:
Base-Base interactions energy: -281.230
where: short stacking energy: -106.802
Base-Backbone interact. energy: -0.805
local terms energy: -109.382967
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -25.425
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -28.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -339.316331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.316331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.316331 (E_RNA)
where:
Base-Base interactions energy: -228.629
where: short stacking energy: -96.505
Base-Backbone interact. energy: -0.795
local terms energy: -109.893041
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -28.479
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: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -339.667417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.667417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.667417 (E_RNA)
where:
Base-Base interactions energy: -232.298
where: short stacking energy: -98.498
Base-Backbone interact. energy: -0.157
local terms energy: -107.212622
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -316.087423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.087423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.087423 (E_RNA)
where:
Base-Base interactions energy: -206.766
where: short stacking energy: -80.278
Base-Backbone interact. energy: -1.546
local terms energy: -107.774574
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -26.380
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -191.899896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.899896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.899896 (E_RNA)
where:
Base-Base interactions energy: -109.553
where: short stacking energy: -63.388
Base-Backbone interact. energy: -0.279
local terms energy: -82.067581
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -196.517527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.517527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.517527 (E_RNA)
where:
Base-Base interactions energy: -106.119
where: short stacking energy: -62.620
Base-Backbone interact. energy: -0.102
local terms energy: -90.296659
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -126.334963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.334963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.334963 (E_RNA)
where:
Base-Base interactions energy: -56.826
where: short stacking energy: -37.228
Base-Backbone interact. energy: -0.632
local terms energy: -68.877543
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -8.251
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: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -200.436576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.436576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.436576 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -62.927
Base-Backbone interact. energy: -0.332
local terms energy: -82.755102
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -16.253
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: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -430.833997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.833997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.833997 (E_RNA)
where:
Base-Base interactions energy: -301.904
where: short stacking energy: -123.859
Base-Backbone interact. energy: -0.427
local terms energy: -128.502785
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -27.852
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -35.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -388.281185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.281185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.281185 (E_RNA)
where:
Base-Base interactions energy: -262.845
where: short stacking energy: -106.498
Base-Backbone interact. energy: -0.105
local terms energy: -125.331283
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -32.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -387.004784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.004784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.004784 (E_RNA)
where:
Base-Base interactions energy: -268.933
where: short stacking energy: -108.042
Base-Backbone interact. energy: 0.979
local terms energy: -119.050998
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -33.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -340.440126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.440126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.440126 (E_RNA)
where:
Base-Base interactions energy: -228.158
where: short stacking energy: -97.962
Base-Backbone interact. energy: -0.407
local terms energy: -111.875068
where:
bonds (distance) C4'-P energy: -25.253
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -26.064
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: 106
Temperature: 1.100000
Total energy: -344.018339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.018339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.018339 (E_RNA)
where:
Base-Base interactions energy: -239.130
where: short stacking energy: -108.172
Base-Backbone interact. energy: -0.456
local terms energy: -104.432524
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -28.733
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: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -301.326261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.326261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.326261 (E_RNA)
where:
Base-Base interactions energy: -194.963
where: short stacking energy: -90.846
Base-Backbone interact. energy: -0.193
local terms energy: -106.170805
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -220.361617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.361617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.361617 (E_RNA)
where:
Base-Base interactions energy: -138.432
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.835
local terms energy: -81.094733
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -185.685376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.685376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.685376 (E_RNA)
where:
Base-Base interactions energy: -103.890
where: short stacking energy: -57.801
Base-Backbone interact. energy: -0.931
local terms energy: -80.864259
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -13.301
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -230.527603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.527603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.527603 (E_RNA)
where:
Base-Base interactions energy: -139.179
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.290
local terms energy: -91.058322
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -112.035398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.035398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.035398 (E_RNA)
where:
Base-Base interactions energy: -47.668
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.582
local terms energy: -63.785640
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -427.288583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.288583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.288583 (E_RNA)
where:
Base-Base interactions energy: -295.202
where: short stacking energy: -122.430
Base-Backbone interact. energy: -0.053
local terms energy: -132.033280
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -36.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -393.278960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.278960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.278960 (E_RNA)
where:
Base-Base interactions energy: -279.335
where: short stacking energy: -107.265
Base-Backbone interact. energy: 0.074
local terms energy: -114.018269
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -28.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -389.267039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.267039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.267039 (E_RNA)
where:
Base-Base interactions energy: -270.015
where: short stacking energy: -113.741
Base-Backbone interact. energy: -0.091
local terms energy: -119.161318
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -35.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -334.472014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.472014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.472014 (E_RNA)
where:
Base-Base interactions energy: -226.650
where: short stacking energy: -100.363
Base-Backbone interact. energy: -0.157
local terms energy: -107.664685
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -24.437
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: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -329.893674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.893674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.893674 (E_RNA)
where:
Base-Base interactions energy: -226.694
where: short stacking energy: -90.013
Base-Backbone interact. energy: -0.423
local terms energy: -102.776182
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -24.909
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: 107
Temperature: 1.150000
Total energy: -282.113048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.113048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.113048 (E_RNA)
where:
Base-Base interactions energy: -194.972
where: short stacking energy: -78.210
Base-Backbone interact. energy: -0.664
local terms energy: -86.476842
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -16.818
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: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -222.576048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.576048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.576048 (E_RNA)
where:
Base-Base interactions energy: -123.098
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.098
local terms energy: -99.379745
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -17.304
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: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -229.867240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.867240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.867240 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -63.107
Base-Backbone interact. energy: -1.086
local terms energy: -86.780048
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -184.624731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.624731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.624731 (E_RNA)
where:
Base-Base interactions energy: -104.930
where: short stacking energy: -48.780
Base-Backbone interact. energy: 0.860
local terms energy: -80.554148
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -7.173
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: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -113.398046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.398046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.398046 (E_RNA)
where:
Base-Base interactions energy: -39.839
where: short stacking energy: -33.611
Base-Backbone interact. energy: -0.554
local terms energy: -73.005816
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: 4.001
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: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -413.813687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.813687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.813687 (E_RNA)
where:
Base-Base interactions energy: -295.737
where: short stacking energy: -119.831
Base-Backbone interact. energy: -0.002
local terms energy: -118.074739
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -378.717852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.717852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.717852 (E_RNA)
where:
Base-Base interactions energy: -263.389
where: short stacking energy: -101.584
Base-Backbone interact. energy: -0.650
local terms energy: -114.679208
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -370.886634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.886634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.886634 (E_RNA)
where:
Base-Base interactions energy: -256.288
where: short stacking energy: -106.114
Base-Backbone interact. energy: -0.067
local terms energy: -114.531787
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -31.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -338.400803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.400803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.400803 (E_RNA)
where:
Base-Base interactions energy: -236.051
where: short stacking energy: -112.138
Base-Backbone interact. energy: 1.309
local terms energy: -103.659114
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -26.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -328.825413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.825413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.825413 (E_RNA)
where:
Base-Base interactions energy: -213.492
where: short stacking energy: -97.257
Base-Backbone interact. energy: -0.480
local terms energy: -114.852574
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -29.230
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: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -288.059911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.059911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.059911 (E_RNA)
where:
Base-Base interactions energy: -196.835
where: short stacking energy: -83.652
Base-Backbone interact. energy: -0.355
local terms energy: -90.870514
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -17.498
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: 108
Temperature: 1.200000
Total energy: -216.934417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.934417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.934417 (E_RNA)
where:
Base-Base interactions energy: -131.419
where: short stacking energy: -64.007
Base-Backbone interact. energy: -0.617
local terms energy: -84.898615
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -192.556524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.556524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.556524 (E_RNA)
where:
Base-Base interactions energy: -101.000
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.188
local terms energy: -91.368018
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -198.702734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.702734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.702734 (E_RNA)
where:
Base-Base interactions energy: -114.820
where: short stacking energy: -60.898
Base-Backbone interact. energy: -0.058
local terms energy: -83.824644
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -18.375
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: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -120.488980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.488980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.488980 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -41.536
Base-Backbone interact. energy: -0.315
local terms energy: -78.638919
where:
bonds (distance) C4'-P energy: -25.450
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -7.008
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: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -417.673464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.673464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.673464 (E_RNA)
where:
Base-Base interactions energy: -284.374
where: short stacking energy: -122.284
Base-Backbone interact. energy: -0.028
local terms energy: -133.270812
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -36.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -384.314452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.314452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.314452 (E_RNA)
where:
Base-Base interactions energy: -269.364
where: short stacking energy: -105.614
Base-Backbone interact. energy: -1.023
local terms energy: -113.927805
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -29.921
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: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -385.550804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.550804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.550804 (E_RNA)
where:
Base-Base interactions energy: -268.246
where: short stacking energy: -113.996
Base-Backbone interact. energy: -0.030
local terms energy: -117.275152
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -31.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -349.866037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.866037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.866037 (E_RNA)
where:
Base-Base interactions energy: -236.771
where: short stacking energy: -104.140
Base-Backbone interact. energy: -0.035
local terms energy: -113.060533
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -28.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -300.978284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.978284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.978284 (E_RNA)
where:
Base-Base interactions energy: -206.195
where: short stacking energy: -92.744
Base-Backbone interact. energy: -0.403
local terms energy: -94.379731
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -298.920622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.920622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.920622 (E_RNA)
where:
Base-Base interactions energy: -213.531
where: short stacking energy: -80.678
Base-Backbone interact. energy: -0.004
local terms energy: -85.385867
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -233.597023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.597023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.597023 (E_RNA)
where:
Base-Base interactions energy: -145.219
where: short stacking energy: -73.108
Base-Backbone interact. energy: -0.910
local terms energy: -87.468062
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -198.274295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.274295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.274295 (E_RNA)
where:
Base-Base interactions energy: -110.085
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.371
local terms energy: -87.818025
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -182.061828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.061828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.061828 (E_RNA)
where:
Base-Base interactions energy: -100.934
where: short stacking energy: -50.610
Base-Backbone interact. energy: -0.072
local terms energy: -81.055327
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -3.457
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: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -109.809491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.809491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.809491 (E_RNA)
where:
Base-Base interactions energy: -38.799
where: short stacking energy: -37.991
Base-Backbone interact. energy: -0.556
local terms energy: -70.454274
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -4.214
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: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -408.793209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.793209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.793209 (E_RNA)
where:
Base-Base interactions energy: -283.927
where: short stacking energy: -113.965
Base-Backbone interact. energy: -0.009
local terms energy: -124.857824
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -37.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -383.272877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.272877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.272877 (E_RNA)
where:
Base-Base interactions energy: -263.092
where: short stacking energy: -100.887
Base-Backbone interact. energy: -0.305
local terms energy: -119.875767
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -27.433
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: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -377.997597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.997597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.997597 (E_RNA)
where:
Base-Base interactions energy: -263.606
where: short stacking energy: -114.434
Base-Backbone interact. energy: 0.858
local terms energy: -115.249622
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -30.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -344.321274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.321274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.321274 (E_RNA)
where:
Base-Base interactions energy: -228.768
where: short stacking energy: -97.642
Base-Backbone interact. energy: -0.922
local terms energy: -114.630696
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -30.508
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: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -295.149069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.149069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.149069 (E_RNA)
where:
Base-Base interactions energy: -185.585
where: short stacking energy: -97.850
Base-Backbone interact. energy: -0.192
local terms energy: -109.371768
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -20.139
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: 110
Temperature: 1.150000
Total energy: -308.306443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.306443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.306443 (E_RNA)
where:
Base-Base interactions energy: -211.948
where: short stacking energy: -82.364
Base-Backbone interact. energy: -1.303
local terms energy: -95.055558
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -9.840
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: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -227.747625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747625 (E_RNA)
where:
Base-Base interactions energy: -135.763
where: short stacking energy: -70.811
Base-Backbone interact. energy: -0.151
local terms energy: -91.833578
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -194.792381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.792381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.792381 (E_RNA)
where:
Base-Base interactions energy: -117.612
where: short stacking energy: -60.423
Base-Backbone interact. energy: -0.181
local terms energy: -76.998962
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -195.778399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.778399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.778399 (E_RNA)
where:
Base-Base interactions energy: -109.465
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.241
local terms energy: -86.072392
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -119.119532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.119532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.119532 (E_RNA)
where:
Base-Base interactions energy: -48.160
where: short stacking energy: -41.300
Base-Backbone interact. energy: -0.333
local terms energy: -70.626471
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -422.072161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.072161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.072161 (E_RNA)
where:
Base-Base interactions energy: -298.498
where: short stacking energy: -123.494
Base-Backbone interact. energy: -0.001
local terms energy: -123.572925
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -37.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -383.278797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.278797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.278797 (E_RNA)
where:
Base-Base interactions energy: -268.883
where: short stacking energy: -105.172
Base-Backbone interact. energy: -1.048
local terms energy: -113.348377
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -379.332669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.332669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.332669 (E_RNA)
where:
Base-Base interactions energy: -262.127
where: short stacking energy: -105.548
Base-Backbone interact. energy: -1.160
local terms energy: -116.046130
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -35.905
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: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -319.290982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.290982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.290982 (E_RNA)
where:
Base-Base interactions energy: -211.166
where: short stacking energy: -97.219
Base-Backbone interact. energy: 0.017
local terms energy: -108.141867
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -22.231
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: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -341.140037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.140037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.140037 (E_RNA)
where:
Base-Base interactions energy: -233.968
where: short stacking energy: -93.597
Base-Backbone interact. energy: -0.340
local terms energy: -106.831891
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -26.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -316.669757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.669757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.669757 (E_RNA)
where:
Base-Base interactions energy: -213.390
where: short stacking energy: -83.777
Base-Backbone interact. energy: -0.374
local terms energy: -102.906358
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -242.290860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.290860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.290860 (E_RNA)
where:
Base-Base interactions energy: -145.780
where: short stacking energy: -90.683
Base-Backbone interact. energy: -0.104
local terms energy: -96.407519
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -16.535
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: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -227.457574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.457574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.457574 (E_RNA)
where:
Base-Base interactions energy: -131.561
where: short stacking energy: -67.022
Base-Backbone interact. energy: 0.027
local terms energy: -95.923411
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -192.514554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.514554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.514554 (E_RNA)
where:
Base-Base interactions energy: -117.241
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.722
local terms energy: -74.550967
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -117.482220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.482220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.482220 (E_RNA)
where:
Base-Base interactions energy: -46.707
where: short stacking energy: -44.879
Base-Backbone interact. energy: 1.151
local terms energy: -71.926906
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -420.058929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.058929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.058929 (E_RNA)
where:
Base-Base interactions energy: -294.762
where: short stacking energy: -118.386
Base-Backbone interact. energy: -0.217
local terms energy: -125.080322
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -35.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -389.695882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.695882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.695882 (E_RNA)
where:
Base-Base interactions energy: -273.896
where: short stacking energy: -113.590
Base-Backbone interact. energy: -0.251
local terms energy: -115.549007
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -32.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -395.200470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.200470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.200470 (E_RNA)
where:
Base-Base interactions energy: -274.327
where: short stacking energy: -121.990
Base-Backbone interact. energy: -0.312
local terms energy: -120.561308
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -34.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -323.172773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.172773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.172773 (E_RNA)
where:
Base-Base interactions energy: -208.958
where: short stacking energy: -89.522
Base-Backbone interact. energy: -0.671
local terms energy: -113.543842
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -28.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -322.135460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.135460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.135460 (E_RNA)
where:
Base-Base interactions energy: -217.283
where: short stacking energy: -94.454
Base-Backbone interact. energy: -0.383
local terms energy: -104.470009
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -329.404012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.404012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.404012 (E_RNA)
where:
Base-Base interactions energy: -231.627
where: short stacking energy: -101.914
Base-Backbone interact. energy: 1.011
local terms energy: -98.788485
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -25.285
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: 112
Temperature: 1.200000
Total energy: -246.967234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.967234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.967234 (E_RNA)
where:
Base-Base interactions energy: -155.994
where: short stacking energy: -68.027
Base-Backbone interact. energy: -0.202
local terms energy: -90.771614
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -223.608464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.608464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.608464 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -67.545
Base-Backbone interact. energy: 3.766
local terms energy: -88.917692
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -13.279
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: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -114.595823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.595823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.595823 (E_RNA)
where:
Base-Base interactions energy: -53.399
where: short stacking energy: -48.218
Base-Backbone interact. energy: -0.375
local terms energy: -60.821494
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -188.401327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.401327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.401327 (E_RNA)
where:
Base-Base interactions energy: -121.305
where: short stacking energy: -51.566
Base-Backbone interact. energy: -0.818
local terms energy: -66.277919
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -424.070507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.070507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.070507 (E_RNA)
where:
Base-Base interactions energy: -310.036
where: short stacking energy: -122.546
Base-Backbone interact. energy: -0.055
local terms energy: -113.979313
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -35.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -386.861137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.861137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.861137 (E_RNA)
where:
Base-Base interactions energy: -266.266
where: short stacking energy: -109.513
Base-Backbone interact. energy: -0.222
local terms energy: -120.372322
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -36.853
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -379.809671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.809671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.809671 (E_RNA)
where:
Base-Base interactions energy: -264.259
where: short stacking energy: -110.147
Base-Backbone interact. energy: 0.544
local terms energy: -116.094630
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -30.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -316.939698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.939698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.939698 (E_RNA)
where:
Base-Base interactions energy: -209.617
where: short stacking energy: -97.529
Base-Backbone interact. energy: -1.680
local terms energy: -105.642609
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -24.927
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: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -326.286975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.286975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.286975 (E_RNA)
where:
Base-Base interactions energy: -219.594
where: short stacking energy: -93.584
Base-Backbone interact. energy: -0.019
local terms energy: -106.674071
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -24.606
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: 113
Temperature: 1.150000
Total energy: -316.779577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.779577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.779577 (E_RNA)
where:
Base-Base interactions energy: -215.806
where: short stacking energy: -95.288
Base-Backbone interact. energy: -0.339
local terms energy: -100.635073
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -251.754831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.754831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.754831 (E_RNA)
where:
Base-Base interactions energy: -157.847
where: short stacking energy: -87.531
Base-Backbone interact. energy: 1.237
local terms energy: -95.144981
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -210.543917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.543917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.543917 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.279
local terms energy: -77.901652
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -10.369
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: 113
Temperature: 1.300000
Total energy: -117.029287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.029287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.029287 (E_RNA)
where:
Base-Base interactions energy: -44.738
where: short stacking energy: -42.894
Base-Backbone interact. energy: 1.101
local terms energy: -73.391509
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -195.315088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.315088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.315088 (E_RNA)
where:
Base-Base interactions energy: -115.288
where: short stacking energy: -66.068
Base-Backbone interact. energy: -0.074
local terms energy: -79.952677
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -13.406
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: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -389.001272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.001272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.001272 (E_RNA)
where:
Base-Base interactions energy: -270.170
where: short stacking energy: -107.201
Base-Backbone interact. energy: -0.121
local terms energy: -118.710059
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -29.523
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: 114
Temperature: 0.950000
Total energy: -411.242918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.242918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.242918 (E_RNA)
where:
Base-Base interactions energy: -280.150
where: short stacking energy: -117.239
Base-Backbone interact. energy: -0.003
local terms energy: -131.090030
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -35.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -374.216117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.216117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.216117 (E_RNA)
where:
Base-Base interactions energy: -262.006
where: short stacking energy: -108.413
Base-Backbone interact. energy: 1.104
local terms energy: -113.314188
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -26.073
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: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -345.676718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.676718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.676718 (E_RNA)
where:
Base-Base interactions energy: -241.763
where: short stacking energy: -101.908
Base-Backbone interact. energy: -0.231
local terms energy: -103.683183
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -27.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -338.470512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.470512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.470512 (E_RNA)
where:
Base-Base interactions energy: -229.794
where: short stacking energy: -98.256
Base-Backbone interact. energy: 0.644
local terms energy: -109.319991
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -24.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -299.440179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.440179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.440179 (E_RNA)
where:
Base-Base interactions energy: -209.549
where: short stacking energy: -86.336
Base-Backbone interact. energy: -0.036
local terms energy: -89.855265
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -11.300
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: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -221.064905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.064905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.064905 (E_RNA)
where:
Base-Base interactions energy: -134.728
where: short stacking energy: -71.718
Base-Backbone interact. energy: -0.420
local terms energy: -85.916370
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -199.998858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.998858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.998858 (E_RNA)
where:
Base-Base interactions energy: -113.644
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.100
local terms energy: -86.254882
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -202.714610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.714610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.714610 (E_RNA)
where:
Base-Base interactions energy: -119.514
where: short stacking energy: -61.677
Base-Backbone interact. energy: -0.570
local terms energy: -82.630437
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -152.118800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.118800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.118800 (E_RNA)
where:
Base-Base interactions energy: -91.147
where: short stacking energy: -41.171
Base-Backbone interact. energy: -0.459
local terms energy: -60.512674
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -392.865859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.865859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.865859 (E_RNA)
where:
Base-Base interactions energy: -269.627
where: short stacking energy: -117.516
Base-Backbone interact. energy: -0.613
local terms energy: -122.626015
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -36.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -427.943115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.943115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.943115 (E_RNA)
where:
Base-Base interactions energy: -302.350
where: short stacking energy: -126.871
Base-Backbone interact. energy: -0.009
local terms energy: -125.584167
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -37.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -366.239441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.239441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.239441 (E_RNA)
where:
Base-Base interactions energy: -250.493
where: short stacking energy: -96.056
Base-Backbone interact. energy: -0.963
local terms energy: -114.784116
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -28.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -343.286232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.286232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.286232 (E_RNA)
where:
Base-Base interactions energy: -224.896
where: short stacking energy: -98.237
Base-Backbone interact. energy: -0.186
local terms energy: -118.204572
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -318.809998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.809998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.809998 (E_RNA)
where:
Base-Base interactions energy: -215.616
where: short stacking energy: -93.747
Base-Backbone interact. energy: -0.229
local terms energy: -102.965254
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -17.196
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: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -313.599967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.599967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.599967 (E_RNA)
where:
Base-Base interactions energy: -215.063
where: short stacking energy: -90.097
Base-Backbone interact. energy: -0.377
local terms energy: -98.160223
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -22.413
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: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -236.536233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.536233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.536233 (E_RNA)
where:
Base-Base interactions energy: -145.260
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.406
local terms energy: -90.869528
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -213.326179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.326179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.326179 (E_RNA)
where:
Base-Base interactions energy: -131.435
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.050
local terms energy: -81.840793
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -4.924
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: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -199.600389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.600389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.600389 (E_RNA)
where:
Base-Base interactions energy: -124.583
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.470
local terms energy: -74.547820
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -170.528285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.528285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.528285 (E_RNA)
where:
Base-Base interactions energy: -96.410
where: short stacking energy: -54.618
Base-Backbone interact. energy: -0.448
local terms energy: -73.670147
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -3.194
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: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -431.705015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.705015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.705015 (E_RNA)
where:
Base-Base interactions energy: -308.996
where: short stacking energy: -126.140
Base-Backbone interact. energy: -0.026
local terms energy: -122.682411
where:
bonds (distance) C4'-P energy: -22.026
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -38.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -395.487768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.487768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.487768 (E_RNA)
where:
Base-Base interactions energy: -285.267
where: short stacking energy: -122.005
Base-Backbone interact. energy: -0.132
local terms energy: -110.088425
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -35.741
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: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -364.171910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.171910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.171910 (E_RNA)
where:
Base-Base interactions energy: -249.119
where: short stacking energy: -103.126
Base-Backbone interact. energy: -0.618
local terms energy: -114.434707
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -28.612
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: 116
Temperature: 1.050000
Total energy: -357.203177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.203177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.203177 (E_RNA)
where:
Base-Base interactions energy: -243.606
where: short stacking energy: -101.135
Base-Backbone interact. energy: -0.310
local terms energy: -113.287418
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -26.155
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: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -323.717958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.717958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.717958 (E_RNA)
where:
Base-Base interactions energy: -220.864
where: short stacking energy: -94.271
Base-Backbone interact. energy: 1.312
local terms energy: -104.165906
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -319.400810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.400810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.400810 (E_RNA)
where:
Base-Base interactions energy: -222.340
where: short stacking energy: -84.427
Base-Backbone interact. energy: -0.693
local terms energy: -96.367355
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -22.004
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: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -246.514251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.514251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.514251 (E_RNA)
where:
Base-Base interactions energy: -163.323
where: short stacking energy: -80.180
Base-Backbone interact. energy: -0.891
local terms energy: -82.300218
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -205.768928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.768928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.768928 (E_RNA)
where:
Base-Base interactions energy: -122.230
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.468
local terms energy: -83.071234
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -211.905579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.905579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.905579 (E_RNA)
where:
Base-Base interactions energy: -111.709
where: short stacking energy: -62.662
Base-Backbone interact. energy: -0.174
local terms energy: -100.022590
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -173.978388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.978388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.978388 (E_RNA)
where:
Base-Base interactions energy: -104.293
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.350
local terms energy: -69.334766
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -428.257327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.257327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.257327 (E_RNA)
where:
Base-Base interactions energy: -301.153
where: short stacking energy: -129.475
Base-Backbone interact. energy: -0.632
local terms energy: -126.472401
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -38.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -376.689377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.689377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.689377 (E_RNA)
where:
Base-Base interactions energy: -256.758
where: short stacking energy: -104.264
Base-Backbone interact. energy: -0.129
local terms energy: -119.802623
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -27.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -376.255893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.255893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.255893 (E_RNA)
where:
Base-Base interactions energy: -257.293
where: short stacking energy: -112.300
Base-Backbone interact. energy: -0.169
local terms energy: -118.793054
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -33.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -323.948389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.948389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.948389 (E_RNA)
where:
Base-Base interactions energy: -220.153
where: short stacking energy: -90.889
Base-Backbone interact. energy: 0.226
local terms energy: -104.021733
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -17.295
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: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -354.962448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.962448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.962448 (E_RNA)
where:
Base-Base interactions energy: -257.992
where: short stacking energy: -102.235
Base-Backbone interact. energy: -0.317
local terms energy: -96.653523
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -312.371085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.371085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.371085 (E_RNA)
where:
Base-Base interactions energy: -196.654
where: short stacking energy: -86.630
Base-Backbone interact. energy: -0.139
local terms energy: -115.577761
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -27.473
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -27.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -218.178429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.178429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.178429 (E_RNA)
where:
Base-Base interactions energy: -119.058
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.231
local terms energy: -98.889561
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -210.146033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.146033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.146033 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.040
local terms energy: -79.060383
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -6.526
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: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -179.676210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.676210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.676210 (E_RNA)
where:
Base-Base interactions energy: -113.298
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.264
local terms energy: -66.114868
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -176.489505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.489505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.489505 (E_RNA)
where:
Base-Base interactions energy: -96.393
where: short stacking energy: -45.350
Base-Backbone interact. energy: 0.536
local terms energy: -80.632963
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -11.865
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: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -429.938270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.938270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.938270 (E_RNA)
where:
Base-Base interactions energy: -306.936
where: short stacking energy: -123.978
Base-Backbone interact. energy: -0.256
local terms energy: -122.745638
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -34.509
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: 118
Temperature: 0.950000
Total energy: -373.441634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.441634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.441634 (E_RNA)
where:
Base-Base interactions energy: -254.107
where: short stacking energy: -106.033
Base-Backbone interact. energy: -0.307
local terms energy: -119.028218
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -28.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -379.914939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.914939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.914939 (E_RNA)
where:
Base-Base interactions energy: -269.473
where: short stacking energy: -103.330
Base-Backbone interact. energy: -0.323
local terms energy: -110.118426
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -323.361866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.361866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.361866 (E_RNA)
where:
Base-Base interactions energy: -220.400
where: short stacking energy: -93.449
Base-Backbone interact. energy: -0.902
local terms energy: -102.060467
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -25.233
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: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -362.299188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.299188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.299188 (E_RNA)
where:
Base-Base interactions energy: -250.568
where: short stacking energy: -101.445
Base-Backbone interact. energy: -0.856
local terms energy: -110.874517
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -27.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -289.848434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.848434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.848434 (E_RNA)
where:
Base-Base interactions energy: -184.003
where: short stacking energy: -84.236
Base-Backbone interact. energy: -0.008
local terms energy: -105.837354
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -24.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -234.580055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.580055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.580055 (E_RNA)
where:
Base-Base interactions energy: -151.233
where: short stacking energy: -69.967
Base-Backbone interact. energy: 1.216
local terms energy: -84.563256
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -9.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -205.792088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.792088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.792088 (E_RNA)
where:
Base-Base interactions energy: -117.374
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.455
local terms energy: -87.963275
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -12.215
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: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -187.623397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.623397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.623397 (E_RNA)
where:
Base-Base interactions energy: -96.959
where: short stacking energy: -44.990
Base-Backbone interact. energy: 0.492
local terms energy: -91.155794
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -172.375118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.375118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.375118 (E_RNA)
where:
Base-Base interactions energy: -107.599
where: short stacking energy: -40.287
Base-Backbone interact. energy: 0.820
local terms energy: -65.596248
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: 2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -422.549866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.549866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.549866 (E_RNA)
where:
Base-Base interactions energy: -299.647
where: short stacking energy: -124.732
Base-Backbone interact. energy: -0.367
local terms energy: -122.535717
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -37.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -384.220784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.220784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.220784 (E_RNA)
where:
Base-Base interactions energy: -262.131
where: short stacking energy: -114.505
Base-Backbone interact. energy: -0.071
local terms energy: -122.018670
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -35.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -371.104469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.104469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.104469 (E_RNA)
where:
Base-Base interactions energy: -255.991
where: short stacking energy: -103.772
Base-Backbone interact. energy: -0.380
local terms energy: -114.733338
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -27.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -378.414579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.414579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.414579 (E_RNA)
where:
Base-Base interactions energy: -265.078
where: short stacking energy: -106.676
Base-Backbone interact. energy: -0.191
local terms energy: -113.145832
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -28.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -317.905417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.905417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.905417 (E_RNA)
where:
Base-Base interactions energy: -225.491
where: short stacking energy: -91.022
Base-Backbone interact. energy: -0.343
local terms energy: -92.071272
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -297.644857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.644857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.644857 (E_RNA)
where:
Base-Base interactions energy: -202.991
where: short stacking energy: -87.391
Base-Backbone interact. energy: 0.949
local terms energy: -95.602983
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -209.729645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.729645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.729645 (E_RNA)
where:
Base-Base interactions energy: -125.256
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.164
local terms energy: -84.309440
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -10.708
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: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -216.892927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.892927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.892927 (E_RNA)
where:
Base-Base interactions energy: -127.480
where: short stacking energy: -54.710
Base-Backbone interact. energy: -0.632
local terms energy: -88.780008
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -186.065102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.065102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065102 (E_RNA)
where:
Base-Base interactions energy: -95.696
where: short stacking energy: -51.668
Base-Backbone interact. energy: -0.246
local terms energy: -90.123939
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -11.606
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: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -197.299100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.299100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.299100 (E_RNA)
where:
Base-Base interactions energy: -108.382
where: short stacking energy: -61.448
Base-Backbone interact. energy: 0.191
local terms energy: -89.108434
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -420.295388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.295388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.295388 (E_RNA)
where:
Base-Base interactions energy: -292.896
where: short stacking energy: -115.844
Base-Backbone interact. energy: -0.010
local terms energy: -127.389381
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -36.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -373.194582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.194582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.194582 (E_RNA)
where:
Base-Base interactions energy: -257.289
where: short stacking energy: -109.204
Base-Backbone interact. energy: -0.506
local terms energy: -115.399822
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -31.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -376.169844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.169844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.169844 (E_RNA)
where:
Base-Base interactions energy: -267.481
where: short stacking energy: -112.192
Base-Backbone interact. energy: 4.384
local terms energy: -113.072667
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -27.132
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: 120
Temperature: 1.050000
Total energy: -367.076423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.076423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.076423 (E_RNA)
where:
Base-Base interactions energy: -252.961
where: short stacking energy: -90.822
Base-Backbone interact. energy: -0.201
local terms energy: -113.914503
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -23.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -316.328833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.328833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.328833 (E_RNA)
where:
Base-Base interactions energy: -208.718
where: short stacking energy: -92.327
Base-Backbone interact. energy: -0.429
local terms energy: -107.182446
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: -20.642
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: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -300.644488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.644488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.644488 (E_RNA)
where:
Base-Base interactions energy: -199.699
where: short stacking energy: -92.043
Base-Backbone interact. energy: -0.704
local terms energy: -100.241145
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -24.458
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: 120
Temperature: 1.200000
Total energy: -225.707491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.707491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.707491 (E_RNA)
where:
Base-Base interactions energy: -141.365
where: short stacking energy: -62.189
Base-Backbone interact. energy: -1.405
local terms energy: -82.937533
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -16.114
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: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -209.665042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.665042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.665042 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -63.396
Base-Backbone interact. energy: -0.622
local terms energy: -83.361110
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -11.520
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: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -192.065496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.065496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.065496 (E_RNA)
where:
Base-Base interactions energy: -110.607
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.159
local terms energy: -81.299964
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -182.857815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.857815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.857815 (E_RNA)
where:
Base-Base interactions energy: -113.930
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.480
local terms energy: -68.447903
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -421.817934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.817934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.817934 (E_RNA)
where:
Base-Base interactions energy: -299.604
where: short stacking energy: -121.121
Base-Backbone interact. energy: -0.024
local terms energy: -122.190325
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -36.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -381.159101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.159101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.159101 (E_RNA)
where:
Base-Base interactions energy: -266.359
where: short stacking energy: -116.807
Base-Backbone interact. energy: -1.166
local terms energy: -113.634400
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -31.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -373.351916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.351916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.351916 (E_RNA)
where:
Base-Base interactions energy: -259.183
where: short stacking energy: -98.902
Base-Backbone interact. energy: -0.461
local terms energy: -113.707800
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -22.457
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: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -352.638654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.638654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.638654 (E_RNA)
where:
Base-Base interactions energy: -241.473
where: short stacking energy: -93.522
Base-Backbone interact. energy: -1.215
local terms energy: -109.950401
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -28.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -310.583113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.583113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.583113 (E_RNA)
where:
Base-Base interactions energy: -212.705
where: short stacking energy: -101.735
Base-Backbone interact. energy: 2.778
local terms energy: -100.656106
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -302.472248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.472248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.472248 (E_RNA)
where:
Base-Base interactions energy: -189.753
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.776
local terms energy: -111.943169
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -17.891
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: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -237.353171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.353171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.353171 (E_RNA)
where:
Base-Base interactions energy: -149.280
where: short stacking energy: -79.342
Base-Backbone interact. energy: -0.123
local terms energy: -87.949806
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -6.012
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: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -202.460414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.460414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.460414 (E_RNA)
where:
Base-Base interactions energy: -119.583
where: short stacking energy: -72.953
Base-Backbone interact. energy: -0.161
local terms energy: -82.716753
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -193.888967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.888967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.888967 (E_RNA)
where:
Base-Base interactions energy: -116.243
where: short stacking energy: -58.851
Base-Backbone interact. energy: -0.324
local terms energy: -77.322234
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -10.024
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: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -179.777230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.777230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.777230 (E_RNA)
where:
Base-Base interactions energy: -97.791
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.513
local terms energy: -81.473361
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -417.516913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.516913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.516913 (E_RNA)
where:
Base-Base interactions energy: -298.221
where: short stacking energy: -121.165
Base-Backbone interact. energy: -0.194
local terms energy: -119.101455
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -36.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -374.336629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.336629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.336629 (E_RNA)
where:
Base-Base interactions energy: -248.001
where: short stacking energy: -109.806
Base-Backbone interact. energy: -0.007
local terms energy: -126.328692
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -34.543
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: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -366.808632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.808632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.808632 (E_RNA)
where:
Base-Base interactions energy: -253.363
where: short stacking energy: -109.853
Base-Backbone interact. energy: -1.386
local terms energy: -112.059370
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -27.944
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: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -369.018205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.018205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.018205 (E_RNA)
where:
Base-Base interactions energy: -252.619
where: short stacking energy: -103.567
Base-Backbone interact. energy: -0.350
local terms energy: -116.048663
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -25.918
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: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -315.528093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.528093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.528093 (E_RNA)
where:
Base-Base interactions energy: -215.655
where: short stacking energy: -95.358
Base-Backbone interact. energy: -0.409
local terms energy: -99.464312
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -20.815
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: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -307.443171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.443171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.443171 (E_RNA)
where:
Base-Base interactions energy: -206.023
where: short stacking energy: -94.281
Base-Backbone interact. energy: 1.104
local terms energy: -102.523508
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -22.857
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: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -239.297474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.297474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.297474 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.150
local terms energy: -87.673975
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -193.464103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.464103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.464103 (E_RNA)
where:
Base-Base interactions energy: -121.117
where: short stacking energy: -49.932
Base-Backbone interact. energy: -0.242
local terms energy: -72.105009
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -199.392538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.392538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.392538 (E_RNA)
where:
Base-Base interactions energy: -117.509
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.183
local terms energy: -81.700713
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -7.151
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: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -194.059527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.059527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.059527 (E_RNA)
where:
Base-Base interactions energy: -117.067
where: short stacking energy: -63.910
Base-Backbone interact. energy: -1.288
local terms energy: -75.704205
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -15.748
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: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -428.226494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.226494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.226494 (E_RNA)
where:
Base-Base interactions energy: -302.115
where: short stacking energy: -117.514
Base-Backbone interact. energy: -0.186
local terms energy: -125.925386
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -40.490
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: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -377.233129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.233129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.233129 (E_RNA)
where:
Base-Base interactions energy: -264.953
where: short stacking energy: -106.350
Base-Backbone interact. energy: -0.667
local terms energy: -111.613819
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -30.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -357.329160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.329160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.329160 (E_RNA)
where:
Base-Base interactions energy: -236.990
where: short stacking energy: -104.167
Base-Backbone interact. energy: -0.031
local terms energy: -120.307431
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -28.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -373.281560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.281560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.281560 (E_RNA)
where:
Base-Base interactions energy: -260.074
where: short stacking energy: -103.808
Base-Backbone interact. energy: -0.683
local terms energy: -112.523930
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -28.984
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -28.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -296.404256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.404256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.404256 (E_RNA)
where:
Base-Base interactions energy: -199.988
where: short stacking energy: -90.504
Base-Backbone interact. energy: 1.004
local terms energy: -97.419989
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -17.846
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: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -269.319655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.319655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.319655 (E_RNA)
where:
Base-Base interactions energy: -164.140
where: short stacking energy: -77.969
Base-Backbone interact. energy: 0.289
local terms energy: -105.468336
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -293.740405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.740405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.740405 (E_RNA)
where:
Base-Base interactions energy: -192.653
where: short stacking energy: -80.760
Base-Backbone interact. energy: -0.199
local terms energy: -100.888032
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -206.105873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.105873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.105873 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -60.878
Base-Backbone interact. energy: 0.571
local terms energy: -75.095955
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -8.870
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: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -196.940429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.940429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.940429 (E_RNA)
where:
Base-Base interactions energy: -123.006
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.271
local terms energy: -73.662856
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -13.459
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: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -180.444074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.444074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.444074 (E_RNA)
where:
Base-Base interactions energy: -106.240
where: short stacking energy: -54.819
Base-Backbone interact. energy: 0.047
local terms energy: -74.251672
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -421.591348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.591348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.591348 (E_RNA)
where:
Base-Base interactions energy: -304.270
where: short stacking energy: -125.007
Base-Backbone interact. energy: -0.302
local terms energy: -117.019259
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -35.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -373.120135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.120135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.120135 (E_RNA)
where:
Base-Base interactions energy: -253.024
where: short stacking energy: -100.150
Base-Backbone interact. energy: -0.214
local terms energy: -119.881877
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -371.537567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.537567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.537567 (E_RNA)
where:
Base-Base interactions energy: -271.669
where: short stacking energy: -111.148
Base-Backbone interact. energy: -0.267
local terms energy: -99.601687
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -27.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -347.417823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.417823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.417823 (E_RNA)
where:
Base-Base interactions energy: -225.784
where: short stacking energy: -104.864
Base-Backbone interact. energy: -0.286
local terms energy: -121.347759
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -31.719
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: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -307.545842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.545842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.545842 (E_RNA)
where:
Base-Base interactions energy: -204.592
where: short stacking energy: -94.711
Base-Backbone interact. energy: -0.636
local terms energy: -102.316970
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -24.839
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: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -301.077101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.077101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.077101 (E_RNA)
where:
Base-Base interactions energy: -202.407
where: short stacking energy: -84.084
Base-Backbone interact. energy: -0.282
local terms energy: -98.388386
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -300.129624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.129624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.129624 (E_RNA)
where:
Base-Base interactions energy: -193.213
where: short stacking energy: -99.718
Base-Backbone interact. energy: 0.177
local terms energy: -107.093379
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -28.223
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: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -190.960477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.960477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.960477 (E_RNA)
where:
Base-Base interactions energy: -110.983
where: short stacking energy: -55.410
Base-Backbone interact. energy: 0.053
local terms energy: -80.029772
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -211.747327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.747327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.747327 (E_RNA)
where:
Base-Base interactions energy: -122.262
where: short stacking energy: -68.518
Base-Backbone interact. energy: -0.068
local terms energy: -89.417916
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -16.927
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: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -178.911477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.911477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.911477 (E_RNA)
where:
Base-Base interactions energy: -106.785
where: short stacking energy: -51.525
Base-Backbone interact. energy: -0.469
local terms energy: -71.658154
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -423.002164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.002164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.002164 (E_RNA)
where:
Base-Base interactions energy: -292.355
where: short stacking energy: -119.632
Base-Backbone interact. energy: -0.017
local terms energy: -130.630060
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -38.721
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: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -381.283335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.283335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.283335 (E_RNA)
where:
Base-Base interactions energy: -272.375
where: short stacking energy: -113.145
Base-Backbone interact. energy: -0.310
local terms energy: -108.598994
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -30.762
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: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -380.569691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.569691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.569691 (E_RNA)
where:
Base-Base interactions energy: -263.822
where: short stacking energy: -106.018
Base-Backbone interact. energy: -1.488
local terms energy: -115.259996
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -30.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -345.564597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.564597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.564597 (E_RNA)
where:
Base-Base interactions energy: -234.252
where: short stacking energy: -94.208
Base-Backbone interact. energy: -0.385
local terms energy: -110.927211
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -308.091268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.091268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.091268 (E_RNA)
where:
Base-Base interactions energy: -214.759
where: short stacking energy: -82.613
Base-Backbone interact. energy: -0.296
local terms energy: -93.036154
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -18.074
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: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -297.408992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.408992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.408992 (E_RNA)
where:
Base-Base interactions energy: -200.174
where: short stacking energy: -87.263
Base-Backbone interact. energy: 0.136
local terms energy: -97.370960
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -14.334
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: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -228.325599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.325599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.325599 (E_RNA)
where:
Base-Base interactions energy: -138.181
where: short stacking energy: -65.081
Base-Backbone interact. energy: 0.007
local terms energy: -90.151202
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -17.254
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: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -197.143776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.143776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.143776 (E_RNA)
where:
Base-Base interactions energy: -115.641
where: short stacking energy: -57.030
Base-Backbone interact. energy: 0.999
local terms energy: -82.501645
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -181.029132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.029132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.029132 (E_RNA)
where:
Base-Base interactions energy: -102.476
where: short stacking energy: -53.235
Base-Backbone interact. energy: 1.099
local terms energy: -79.652717
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -5.134
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: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -170.147126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.147126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.147126 (E_RNA)
where:
Base-Base interactions energy: -100.912
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.285
local terms energy: -68.950206
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.286
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: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -420.887998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.887998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.887998 (E_RNA)
where:
Base-Base interactions energy: -300.002
where: short stacking energy: -122.664
Base-Backbone interact. energy: -0.061
local terms energy: -120.825029
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -34.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -376.728510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.728510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.728510 (E_RNA)
where:
Base-Base interactions energy: -259.603
where: short stacking energy: -91.479
Base-Backbone interact. energy: -0.171
local terms energy: -116.954439
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.858
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -351.993759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.993759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.993759 (E_RNA)
where:
Base-Base interactions energy: -239.849
where: short stacking energy: -100.236
Base-Backbone interact. energy: 0.079
local terms energy: -112.224092
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -359.182343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.182343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.182343 (E_RNA)
where:
Base-Base interactions energy: -246.284
where: short stacking energy: -97.332
Base-Backbone interact. energy: -1.341
local terms energy: -111.557110
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -309.062008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.062008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.062008 (E_RNA)
where:
Base-Base interactions energy: -201.102
where: short stacking energy: -91.141
Base-Backbone interact. energy: -0.647
local terms energy: -107.313389
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -301.525207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.525207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.525207 (E_RNA)
where:
Base-Base interactions energy: -198.224
where: short stacking energy: -77.010
Base-Backbone interact. energy: -0.230
local terms energy: -103.071760
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -216.611438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.611438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.611438 (E_RNA)
where:
Base-Base interactions energy: -126.016
where: short stacking energy: -66.905
Base-Backbone interact. energy: 2.127
local terms energy: -92.722098
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -223.671947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.671947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.671947 (E_RNA)
where:
Base-Base interactions energy: -135.080
where: short stacking energy: -74.176
Base-Backbone interact. energy: -0.252
local terms energy: -88.339707
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -187.711551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.711551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.711551 (E_RNA)
where:
Base-Base interactions energy: -97.304
where: short stacking energy: -55.727
Base-Backbone interact. energy: -0.180
local terms energy: -90.227766
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -12.658
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: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -182.721312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.721312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.721312 (E_RNA)
where:
Base-Base interactions energy: -105.503
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.452
local terms energy: -76.766488
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -422.791471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.791471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.791471 (E_RNA)
where:
Base-Base interactions energy: -297.710
where: short stacking energy: -119.593
Base-Backbone interact. energy: -0.578
local terms energy: -124.502764
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -36.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -374.270203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.270203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.270203 (E_RNA)
where:
Base-Base interactions energy: -264.901
where: short stacking energy: -99.825
Base-Backbone interact. energy: -1.134
local terms energy: -108.235798
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -327.806653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.806653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.806653 (E_RNA)
where:
Base-Base interactions energy: -218.022
where: short stacking energy: -92.222
Base-Backbone interact. energy: -0.053
local terms energy: -109.732288
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -355.876366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.876366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.876366 (E_RNA)
where:
Base-Base interactions energy: -250.805
where: short stacking energy: -108.797
Base-Backbone interact. energy: 2.832
local terms energy: -107.903563
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -26.882
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: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -330.665888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.665888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.665888 (E_RNA)
where:
Base-Base interactions energy: -217.465
where: short stacking energy: -94.188
Base-Backbone interact. energy: -0.655
local terms energy: -112.545129
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -300.653726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.653726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.653726 (E_RNA)
where:
Base-Base interactions energy: -199.829
where: short stacking energy: -73.979
Base-Backbone interact. energy: -0.715
local terms energy: -100.109704
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -216.412389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.412389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.412389 (E_RNA)
where:
Base-Base interactions energy: -124.281
where: short stacking energy: -67.142
Base-Backbone interact. energy: -0.684
local terms energy: -91.447338
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -199.289233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.289233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.289233 (E_RNA)
where:
Base-Base interactions energy: -114.250
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.348
local terms energy: -84.691981
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -210.266467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.266467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.266467 (E_RNA)
where:
Base-Base interactions energy: -126.395
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.267
local terms energy: -83.604101
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -12.596
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: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -183.031727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.031727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.031727 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.093
local terms energy: -77.814223
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -420.803226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.803226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.803226 (E_RNA)
where:
Base-Base interactions energy: -307.541
where: short stacking energy: -118.340
Base-Backbone interact. energy: -0.293
local terms energy: -112.969167
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -36.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -368.696405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.696405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.696405 (E_RNA)
where:
Base-Base interactions energy: -254.372
where: short stacking energy: -94.818
Base-Backbone interact. energy: 0.907
local terms energy: -115.231025
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -357.019027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.019027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.019027 (E_RNA)
where:
Base-Base interactions energy: -246.560
where: short stacking energy: -102.050
Base-Backbone interact. energy: 1.284
local terms energy: -111.742376
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -17.060
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: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -325.410060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.410060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.410060 (E_RNA)
where:
Base-Base interactions energy: -217.296
where: short stacking energy: -96.455
Base-Backbone interact. energy: -0.688
local terms energy: -107.425293
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -25.775
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: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -307.729776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.729776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.729776 (E_RNA)
where:
Base-Base interactions energy: -196.615
where: short stacking energy: -92.867
Base-Backbone interact. energy: -0.579
local terms energy: -110.535877
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -26.622
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: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -289.722034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.722034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.722034 (E_RNA)
where:
Base-Base interactions energy: -183.381
where: short stacking energy: -93.748
Base-Backbone interact. energy: -1.147
local terms energy: -105.193624
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -207.574359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.574359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.574359 (E_RNA)
where:
Base-Base interactions energy: -117.113
where: short stacking energy: -69.750
Base-Backbone interact. energy: -0.250
local terms energy: -90.211423
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -19.360
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: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -196.661296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.661296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.661296 (E_RNA)
where:
Base-Base interactions energy: -105.545
where: short stacking energy: -56.118
Base-Backbone interact. energy: 2.539
local terms energy: -93.655560
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -218.235264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.235264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.235264 (E_RNA)
where:
Base-Base interactions energy: -124.217
where: short stacking energy: -70.930
Base-Backbone interact. energy: 1.537
local terms energy: -95.554873
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -12.375
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: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -198.720100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.720100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.720100 (E_RNA)
where:
Base-Base interactions energy: -123.245
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.337
local terms energy: -75.137584
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -425.402922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.402922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.402922 (E_RNA)
where:
Base-Base interactions energy: -300.478
where: short stacking energy: -121.894
Base-Backbone interact. energy: -0.032
local terms energy: -124.893219
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -39.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -363.782249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.782249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.782249 (E_RNA)
where:
Base-Base interactions energy: -252.157
where: short stacking energy: -105.660
Base-Backbone interact. energy: 0.187
local terms energy: -111.812530
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -354.633464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.633464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.633464 (E_RNA)
where:
Base-Base interactions energy: -250.029
where: short stacking energy: -91.955
Base-Backbone interact. energy: -0.660
local terms energy: -103.944604
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -27.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -317.594390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.594390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.594390 (E_RNA)
where:
Base-Base interactions energy: -207.455
where: short stacking energy: -94.419
Base-Backbone interact. energy: -0.359
local terms energy: -109.780132
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -312.660392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.660392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.660392 (E_RNA)
where:
Base-Base interactions energy: -213.089
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.014
local terms energy: -99.557786
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -308.850322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.850322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.850322 (E_RNA)
where:
Base-Base interactions energy: -202.344
where: short stacking energy: -92.465
Base-Backbone interact. energy: 0.070
local terms energy: -106.576202
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -203.633986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.633986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.633986 (E_RNA)
where:
Base-Base interactions energy: -121.856
where: short stacking energy: -65.271
Base-Backbone interact. energy: 0.382
local terms energy: -82.159460
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -8.240
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: 129
Temperature: 1.250000
Total energy: -235.321392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.321392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.321392 (E_RNA)
where:
Base-Base interactions energy: -154.170
where: short stacking energy: -67.833
Base-Backbone interact. energy: 0.910
local terms energy: -82.061261
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -197.183492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.183492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.183492 (E_RNA)
where:
Base-Base interactions energy: -107.220
where: short stacking energy: -52.612
Base-Backbone interact. energy: 0.219
local terms energy: -90.182760
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -170.499309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.499309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.499309 (E_RNA)
where:
Base-Base interactions energy: -94.617
where: short stacking energy: -42.679
Base-Backbone interact. energy: 0.062
local terms energy: -75.944729
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -410.490748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.490748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.490748 (E_RNA)
where:
Base-Base interactions energy: -281.216
where: short stacking energy: -116.801
Base-Backbone interact. energy: -0.239
local terms energy: -129.035652
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -37.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -371.250589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.250589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.250589 (E_RNA)
where:
Base-Base interactions energy: -250.416
where: short stacking energy: -101.093
Base-Backbone interact. energy: -1.322
local terms energy: -119.512531
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -372.195229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.195229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.195229 (E_RNA)
where:
Base-Base interactions energy: -267.528
where: short stacking energy: -107.743
Base-Backbone interact. energy: -0.524
local terms energy: -104.143645
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -27.018
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: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -332.021712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.021712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.021712 (E_RNA)
where:
Base-Base interactions energy: -227.127
where: short stacking energy: -107.094
Base-Backbone interact. energy: -0.077
local terms energy: -104.817843
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -325.408424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.408424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.408424 (E_RNA)
where:
Base-Base interactions energy: -223.798
where: short stacking energy: -99.570
Base-Backbone interact. energy: -0.068
local terms energy: -101.542510
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -27.196
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: 130
Temperature: 1.150000
Total energy: -308.788855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.788855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.788855 (E_RNA)
where:
Base-Base interactions energy: -203.544
where: short stacking energy: -90.444
Base-Backbone interact. energy: 0.588
local terms energy: -105.832900
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -24.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -231.981240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.981240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.981240 (E_RNA)
where:
Base-Base interactions energy: -157.073
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.133
local terms energy: -74.775594
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -200.994901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.994901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.994901 (E_RNA)
where:
Base-Base interactions energy: -128.208
where: short stacking energy: -49.254
Base-Backbone interact. energy: -1.951
local terms energy: -70.835984
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -190.571803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.571803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.571803 (E_RNA)
where:
Base-Base interactions energy: -105.062
where: short stacking energy: -53.853
Base-Backbone interact. energy: -1.274
local terms energy: -84.236016
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -118.294661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.294661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.294661 (E_RNA)
where:
Base-Base interactions energy: -59.231
where: short stacking energy: -32.887
Base-Backbone interact. energy: -0.263
local terms energy: -58.800733
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -12.190
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: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -415.788719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.788719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.788719 (E_RNA)
where:
Base-Base interactions energy: -289.612
where: short stacking energy: -116.655
Base-Backbone interact. energy: -0.121
local terms energy: -126.055711
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -38.426
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: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -360.970339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.970339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.970339 (E_RNA)
where:
Base-Base interactions energy: -248.380
where: short stacking energy: -110.882
Base-Backbone interact. energy: -0.299
local terms energy: -112.291189
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -378.612536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.612536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.612536 (E_RNA)
where:
Base-Base interactions energy: -265.072
where: short stacking energy: -104.389
Base-Backbone interact. energy: 0.008
local terms energy: -113.548507
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -313.765897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.765897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.765897 (E_RNA)
where:
Base-Base interactions energy: -207.598
where: short stacking energy: -96.828
Base-Backbone interact. energy: -0.222
local terms energy: -105.945354
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -24.253
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: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -335.694020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.694020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.694020 (E_RNA)
where:
Base-Base interactions energy: -225.621
where: short stacking energy: -115.107
Base-Backbone interact. energy: 0.530
local terms energy: -110.603309
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -30.477
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: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -290.436343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.436343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.436343 (E_RNA)
where:
Base-Base interactions energy: -185.851
where: short stacking energy: -73.508
Base-Backbone interact. energy: -0.657
local terms energy: -103.928555
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -14.986
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: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -248.845344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.845344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.845344 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -75.119
Base-Backbone interact. energy: -0.210
local terms energy: -101.136104
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -215.447136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.447136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.447136 (E_RNA)
where:
Base-Base interactions energy: -131.762
where: short stacking energy: -66.575
Base-Backbone interact. energy: -0.265
local terms energy: -83.420243
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -12.216
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: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -188.641142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.641142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.641142 (E_RNA)
where:
Base-Base interactions energy: -114.003
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.226
local terms energy: -74.412131
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -8.134
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: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -119.037240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.037240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.037240 (E_RNA)
where:
Base-Base interactions energy: -40.381
where: short stacking energy: -40.381
Base-Backbone interact. energy: -0.840
local terms energy: -77.816209
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -422.236590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.236590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.236590 (E_RNA)
where:
Base-Base interactions energy: -298.383
where: short stacking energy: -121.914
Base-Backbone interact. energy: -0.004
local terms energy: -123.849432
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -37.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -383.257770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.257770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.257770 (E_RNA)
where:
Base-Base interactions energy: -258.907
where: short stacking energy: -108.015
Base-Backbone interact. energy: -0.038
local terms energy: -124.312321
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -31.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -386.829157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.829157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.829157 (E_RNA)
where:
Base-Base interactions energy: -273.401
where: short stacking energy: -100.382
Base-Backbone interact. energy: -0.548
local terms energy: -112.880327
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -29.229
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: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -332.617934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.617934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.617934 (E_RNA)
where:
Base-Base interactions energy: -220.774
where: short stacking energy: -89.529
Base-Backbone interact. energy: 0.212
local terms energy: -112.056044
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -27.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -312.754794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.754794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.754794 (E_RNA)
where:
Base-Base interactions energy: -222.729
where: short stacking energy: -90.458
Base-Backbone interact. energy: -1.161
local terms energy: -88.865430
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -18.590
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: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -297.743172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.743172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.743172 (E_RNA)
where:
Base-Base interactions energy: -187.291
where: short stacking energy: -82.900
Base-Backbone interact. energy: -0.032
local terms energy: -110.419942
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -17.625
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: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -268.565380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.565380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.565380 (E_RNA)
where:
Base-Base interactions energy: -172.528
where: short stacking energy: -86.632
Base-Backbone interact. energy: -1.416
local terms energy: -94.620839
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -195.708001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.708001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.708001 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.424
local terms energy: -89.141831
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -8.296
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: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -181.941046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.941046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.941046 (E_RNA)
where:
Base-Base interactions energy: -106.822
where: short stacking energy: -46.226
Base-Backbone interact. energy: 1.720
local terms energy: -76.839543
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -129.333651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.333651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.333651 (E_RNA)
where:
Base-Base interactions energy: -63.125
where: short stacking energy: -44.116
Base-Backbone interact. energy: 1.166
local terms energy: -67.374574
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -418.435474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.435474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.435474 (E_RNA)
where:
Base-Base interactions energy: -291.435
where: short stacking energy: -120.038
Base-Backbone interact. energy: -0.004
local terms energy: -126.995682
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -37.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -391.345821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.345821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.345821 (E_RNA)
where:
Base-Base interactions energy: -282.890
where: short stacking energy: -110.815
Base-Backbone interact. energy: -0.659
local terms energy: -107.796873
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -24.998
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: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -364.332536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.332536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.332536 (E_RNA)
where:
Base-Base interactions energy: -257.892
where: short stacking energy: -104.925
Base-Backbone interact. energy: -0.320
local terms energy: -106.120058
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -31.212
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: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -325.212435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.212435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.212435 (E_RNA)
where:
Base-Base interactions energy: -225.892
where: short stacking energy: -94.176
Base-Backbone interact. energy: -0.368
local terms energy: -98.952203
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -311.552738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.552738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.552738 (E_RNA)
where:
Base-Base interactions energy: -204.655
where: short stacking energy: -98.036
Base-Backbone interact. energy: -0.248
local terms energy: -106.649519
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -24.630
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: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -319.644804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.644804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.644804 (E_RNA)
where:
Base-Base interactions energy: -214.151
where: short stacking energy: -97.649
Base-Backbone interact. energy: -0.098
local terms energy: -105.395510
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -24.803
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: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -240.404947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.404947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.404947 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -72.693
Base-Backbone interact. energy: -0.199
local terms energy: -97.489542
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -16.384
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: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -206.955092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.955092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.955092 (E_RNA)
where:
Base-Base interactions energy: -125.019
where: short stacking energy: -61.533
Base-Backbone interact. energy: -0.432
local terms energy: -81.504604
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -201.365758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.365758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.365758 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -44.271
Base-Backbone interact. energy: -1.345
local terms energy: -83.189749
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -106.740909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.740909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.740909 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -38.880
Base-Backbone interact. energy: -0.189
local terms energy: -66.629263
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -395.343794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.343794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.343794 (E_RNA)
where:
Base-Base interactions energy: -271.471
where: short stacking energy: -107.742
Base-Backbone interact. energy: -0.890
local terms energy: -122.983580
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -25.753
flat angles P-C4'-P energy: -20.046
tors. eta vs tors. theta energy: -28.790
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: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -417.029293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.029293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.029293 (E_RNA)
where:
Base-Base interactions energy: -298.742
where: short stacking energy: -119.962
Base-Backbone interact. energy: -0.581
local terms energy: -117.707244
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -39.129
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: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -371.425423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.425423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.425423 (E_RNA)
where:
Base-Base interactions energy: -262.063
where: short stacking energy: -105.270
Base-Backbone interact. energy: 2.345
local terms energy: -111.707002
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -33.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -349.979841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.979841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.979841 (E_RNA)
where:
Base-Base interactions energy: -245.461
where: short stacking energy: -108.418
Base-Backbone interact. energy: 0.246
local terms energy: -104.764895
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -26.311
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: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -311.237763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.237763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.237763 (E_RNA)
where:
Base-Base interactions energy: -205.597
where: short stacking energy: -99.589
Base-Backbone interact. energy: -0.440
local terms energy: -105.201201
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -294.377919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.377919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.377919 (E_RNA)
where:
Base-Base interactions energy: -194.453
where: short stacking energy: -80.202
Base-Backbone interact. energy: -1.091
local terms energy: -98.834670
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -17.844
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: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -220.476440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.476440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.476440 (E_RNA)
where:
Base-Base interactions energy: -146.763
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.095
local terms energy: -73.618366
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -201.663049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.663049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.663049 (E_RNA)
where:
Base-Base interactions energy: -113.621
where: short stacking energy: -59.922
Base-Backbone interact. energy: 0.038
local terms energy: -88.080504
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -14.099
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: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -195.961131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.961131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.961131 (E_RNA)
where:
Base-Base interactions energy: -105.896
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.296
local terms energy: -89.768960
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -17.760
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: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -126.994904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.994904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.994904 (E_RNA)
where:
Base-Base interactions energy: -47.230
where: short stacking energy: -47.230
Base-Backbone interact. energy: -0.189
local terms energy: -79.575893
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -399.789642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.789642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.789642 (E_RNA)
where:
Base-Base interactions energy: -274.396
where: short stacking energy: -109.075
Base-Backbone interact. energy: -0.864
local terms energy: -124.529734
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -30.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -429.360042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.360042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.360042 (E_RNA)
where:
Base-Base interactions energy: -304.746
where: short stacking energy: -122.570
Base-Backbone interact. energy: -0.007
local terms energy: -124.606911
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -38.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -370.832459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.832459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.832459 (E_RNA)
where:
Base-Base interactions energy: -254.456
where: short stacking energy: -103.897
Base-Backbone interact. energy: 0.186
local terms energy: -116.562236
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -29.509
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: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -334.760837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.760837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.760837 (E_RNA)
where:
Base-Base interactions energy: -227.633
where: short stacking energy: -105.511
Base-Backbone interact. energy: -0.032
local terms energy: -107.095535
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -26.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -329.618931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.618931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.618931 (E_RNA)
where:
Base-Base interactions energy: -230.701
where: short stacking energy: -90.025
Base-Backbone interact. energy: -0.330
local terms energy: -98.587528
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -315.485097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.485097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.485097 (E_RNA)
where:
Base-Base interactions energy: -225.591
where: short stacking energy: -81.730
Base-Backbone interact. energy: -0.083
local terms energy: -89.810898
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -229.588132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.588132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.588132 (E_RNA)
where:
Base-Base interactions energy: -137.067
where: short stacking energy: -85.514
Base-Backbone interact. energy: -0.097
local terms energy: -92.423579
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -208.542907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.542907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.542907 (E_RNA)
where:
Base-Base interactions energy: -117.621
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.249
local terms energy: -90.673648
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -27.672
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -202.866755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.866755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.866755 (E_RNA)
where:
Base-Base interactions energy: -116.818
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.143
local terms energy: -85.905842
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -127.141216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.141216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.141216 (E_RNA)
where:
Base-Base interactions energy: -50.319
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.232
local terms energy: -76.590136
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -421.563369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.563369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.563369 (E_RNA)
where:
Base-Base interactions energy: -294.084
where: short stacking energy: -119.928
Base-Backbone interact. energy: -0.001
local terms energy: -127.479015
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -37.448
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: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -395.107338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.107338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.107338 (E_RNA)
where:
Base-Base interactions energy: -275.983
where: short stacking energy: -101.361
Base-Backbone interact. energy: -0.562
local terms energy: -118.561568
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -27.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -359.040852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.040852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.040852 (E_RNA)
where:
Base-Base interactions energy: -255.057
where: short stacking energy: -100.973
Base-Backbone interact. energy: -0.482
local terms energy: -103.502025
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -332.416958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.416958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.416958 (E_RNA)
where:
Base-Base interactions energy: -223.630
where: short stacking energy: -89.184
Base-Backbone interact. energy: -0.104
local terms energy: -108.682454
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -333.153311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.153311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.153311 (E_RNA)
where:
Base-Base interactions energy: -224.992
where: short stacking energy: -81.802
Base-Backbone interact. energy: -0.261
local terms energy: -107.900989
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -25.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -314.197343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.197343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.197343 (E_RNA)
where:
Base-Base interactions energy: -218.943
where: short stacking energy: -83.497
Base-Backbone interact. energy: -0.341
local terms energy: -94.913269
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -200.289437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.289437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.289437 (E_RNA)
where:
Base-Base interactions energy: -124.250
where: short stacking energy: -49.842
Base-Backbone interact. energy: 0.725
local terms energy: -76.764140
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -5.581
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: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -231.751860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.751860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.751860 (E_RNA)
where:
Base-Base interactions energy: -133.855
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.031
local terms energy: -97.865922
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -227.438621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.438621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.438621 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.143
local terms energy: -89.928495
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -15.068
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: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -118.661161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.661161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.661161 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -41.966
Base-Backbone interact. energy: -0.332
local terms energy: -73.612169
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -417.788522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.788522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.788522 (E_RNA)
where:
Base-Base interactions energy: -294.196
where: short stacking energy: -110.436
Base-Backbone interact. energy: -0.002
local terms energy: -123.590442
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -37.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -372.504349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.504349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.504349 (E_RNA)
where:
Base-Base interactions energy: -257.232
where: short stacking energy: -102.645
Base-Backbone interact. energy: -0.675
local terms energy: -114.597526
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -29.110
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: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -387.076361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.076361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.076361 (E_RNA)
where:
Base-Base interactions energy: -281.403
where: short stacking energy: -107.945
Base-Backbone interact. energy: 0.783
local terms energy: -106.456908
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -22.403
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -27.416
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: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -352.984627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.984627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.984627 (E_RNA)
where:
Base-Base interactions energy: -243.929
where: short stacking energy: -95.226
Base-Backbone interact. energy: 3.915
local terms energy: -112.970697
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -27.192
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: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -317.706120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.706120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.706120 (E_RNA)
where:
Base-Base interactions energy: -219.961
where: short stacking energy: -92.202
Base-Backbone interact. energy: 2.881
local terms energy: -100.626174
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -25.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -322.904932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.904932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.904932 (E_RNA)
where:
Base-Base interactions energy: -226.805
where: short stacking energy: -89.538
Base-Backbone interact. energy: -2.004
local terms energy: -94.095581
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -218.637842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.637842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.637842 (E_RNA)
where:
Base-Base interactions energy: -122.981
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.024
local terms energy: -95.633740
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -228.265504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.265504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.265504 (E_RNA)
where:
Base-Base interactions energy: -142.260
where: short stacking energy: -64.064
Base-Backbone interact. energy: 2.508
local terms energy: -88.514304
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -9.354
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: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -188.194777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.194777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.194777 (E_RNA)
where:
Base-Base interactions energy: -100.103
where: short stacking energy: -53.525
Base-Backbone interact. energy: -0.205
local terms energy: -87.885926
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -15.416
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: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -130.432052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.432052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.432052 (E_RNA)
where:
Base-Base interactions energy: -50.567
where: short stacking energy: -45.812
Base-Backbone interact. energy: -0.198
local terms energy: -79.666153
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -10.217
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: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -407.884446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.884446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.884446 (E_RNA)
where:
Base-Base interactions energy: -289.086
where: short stacking energy: -118.112
Base-Backbone interact. energy: 0.611
local terms energy: -119.409883
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -35.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -378.111152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.111152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.111152 (E_RNA)
where:
Base-Base interactions energy: -251.503
where: short stacking energy: -111.265
Base-Backbone interact. energy: -1.520
local terms energy: -125.088426
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -30.897
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: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -373.812453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.812453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.812453 (E_RNA)
where:
Base-Base interactions energy: -255.152
where: short stacking energy: -104.943
Base-Backbone interact. energy: -1.620
local terms energy: -117.040924
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -23.795
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: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -392.690317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.690317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.690317 (E_RNA)
where:
Base-Base interactions energy: -275.417
where: short stacking energy: -106.783
Base-Backbone interact. energy: -0.265
local terms energy: -117.008206
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -31.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -330.852266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.852266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.852266 (E_RNA)
where:
Base-Base interactions energy: -228.648
where: short stacking energy: -88.262
Base-Backbone interact. energy: -1.157
local terms energy: -101.047043
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -24.221
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: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -303.071418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.071418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.071418 (E_RNA)
where:
Base-Base interactions energy: -206.395
where: short stacking energy: -79.237
Base-Backbone interact. energy: 0.149
local terms energy: -96.825491
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -237.138371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.138371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.138371 (E_RNA)
where:
Base-Base interactions energy: -146.582
where: short stacking energy: -75.116
Base-Backbone interact. energy: -0.546
local terms energy: -90.010302
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -214.812750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.812750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.812750 (E_RNA)
where:
Base-Base interactions energy: -126.216
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.219
local terms energy: -88.378359
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -201.559494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.559494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.559494 (E_RNA)
where:
Base-Base interactions energy: -109.403
where: short stacking energy: -67.239
Base-Backbone interact. energy: -0.335
local terms energy: -91.821592
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -16.962
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: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -119.720105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.720105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.720105 (E_RNA)
where:
Base-Base interactions energy: -51.161
where: short stacking energy: -35.162
Base-Backbone interact. energy: -0.235
local terms energy: -68.323882
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -4.360
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: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -417.036456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.036456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.036456 (E_RNA)
where:
Base-Base interactions energy: -284.398
where: short stacking energy: -109.045
Base-Backbone interact. energy: -0.011
local terms energy: -132.627066
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -36.215
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: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -372.055989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.055989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.055989 (E_RNA)
where:
Base-Base interactions energy: -260.706
where: short stacking energy: -108.025
Base-Backbone interact. energy: 0.919
local terms energy: -112.268694
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -29.214
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: 139
Temperature: 1.000000
Total energy: -359.126514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.126514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.126514 (E_RNA)
where:
Base-Base interactions energy: -257.785
where: short stacking energy: -88.612
Base-Backbone interact. energy: -0.388
local terms energy: -100.953581
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -338.020677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.020677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.020677 (E_RNA)
where:
Base-Base interactions energy: -231.246
where: short stacking energy: -92.176
Base-Backbone interact. energy: -1.116
local terms energy: -105.658225
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -367.528844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.528844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.528844 (E_RNA)
where:
Base-Base interactions energy: -258.744
where: short stacking energy: -99.039
Base-Backbone interact. energy: -1.002
local terms energy: -107.782735
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -309.969747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.969747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.969747 (E_RNA)
where:
Base-Base interactions energy: -206.528
where: short stacking energy: -81.293
Base-Backbone interact. energy: -0.518
local terms energy: -102.924426
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -275.035872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.035872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.035872 (E_RNA)
where:
Base-Base interactions energy: -176.474
where: short stacking energy: -78.586
Base-Backbone interact. energy: 2.436
local terms energy: -100.997396
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -191.689734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.689734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.689734 (E_RNA)
where:
Base-Base interactions energy: -107.229
where: short stacking energy: -55.253
Base-Backbone interact. energy: -0.080
local terms energy: -84.379888
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -201.351055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.351055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.351055 (E_RNA)
where:
Base-Base interactions energy: -113.406
where: short stacking energy: -57.385
Base-Backbone interact. energy: 1.648
local terms energy: -89.593334
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -120.269641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.269641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.269641 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.614
local terms energy: -80.175572
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -419.573139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.573139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.573139 (E_RNA)
where:
Base-Base interactions energy: -299.938
where: short stacking energy: -114.776
Base-Backbone interact. energy: -0.140
local terms energy: -119.494829
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -38.944
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: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -377.989304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.989304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.989304 (E_RNA)
where:
Base-Base interactions energy: -261.906
where: short stacking energy: -106.774
Base-Backbone interact. energy: -0.745
local terms energy: -115.338043
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -30.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -347.210709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.210709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.210709 (E_RNA)
where:
Base-Base interactions energy: -238.440
where: short stacking energy: -99.351
Base-Backbone interact. energy: -1.247
local terms energy: -107.523838
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -28.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -332.300789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.300789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.300789 (E_RNA)
where:
Base-Base interactions energy: -226.637
where: short stacking energy: -88.391
Base-Backbone interact. energy: -0.418
local terms energy: -105.245074
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -16.900
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: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -369.200425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.200425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.200425 (E_RNA)
where:
Base-Base interactions energy: -277.102
where: short stacking energy: -106.038
Base-Backbone interact. energy: 0.351
local terms energy: -92.448578
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -336.701974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.701974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.701974 (E_RNA)
where:
Base-Base interactions energy: -224.139
where: short stacking energy: -94.120
Base-Backbone interact. energy: -0.151
local terms energy: -112.411544
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -30.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -277.714665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.714665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.714665 (E_RNA)
where:
Base-Base interactions energy: -176.546
where: short stacking energy: -79.726
Base-Backbone interact. energy: 0.716
local terms energy: -101.885220
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -17.859
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: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -200.908930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.908930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.908930 (E_RNA)
where:
Base-Base interactions energy: -114.849
where: short stacking energy: -61.001
Base-Backbone interact. energy: -0.138
local terms energy: -85.921822
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -14.486
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: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -212.764514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.764514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.764514 (E_RNA)
where:
Base-Base interactions energy: -131.848
where: short stacking energy: -71.017
Base-Backbone interact. energy: 0.120
local terms energy: -81.036107
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -14.562
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: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -130.670932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.670932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.670932 (E_RNA)
where:
Base-Base interactions energy: -53.044
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.295
local terms energy: -77.331933
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: 0.280
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: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -420.442799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.442799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.442799 (E_RNA)
where:
Base-Base interactions energy: -295.849
where: short stacking energy: -122.066
Base-Backbone interact. energy: -0.008
local terms energy: -124.586238
where:
bonds (distance) C4'-P energy: -25.561
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -380.110858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.110858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.110858 (E_RNA)
where:
Base-Base interactions energy: -266.176
where: short stacking energy: -102.194
Base-Backbone interact. energy: -0.226
local terms energy: -113.708730
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -31.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -341.112608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.112608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.112608 (E_RNA)
where:
Base-Base interactions energy: -227.448
where: short stacking energy: -96.476
Base-Backbone interact. energy: -0.086
local terms energy: -113.578921
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -26.477
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: 141
Temperature: 1.050000
Total energy: -383.363246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.363246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.363246 (E_RNA)
where:
Base-Base interactions energy: -274.195
where: short stacking energy: -107.378
Base-Backbone interact. energy: 0.358
local terms energy: -109.526398
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -31.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -301.387842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.387842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.387842 (E_RNA)
where:
Base-Base interactions energy: -211.938
where: short stacking energy: -91.456
Base-Backbone interact. energy: -0.350
local terms energy: -89.099450
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -17.935
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: 141
Temperature: 1.150000
Total energy: -329.804322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.804322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.804322 (E_RNA)
where:
Base-Base interactions energy: -235.113
where: short stacking energy: -83.228
Base-Backbone interact. energy: -0.265
local terms energy: -94.426112
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -255.967758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.967758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.967758 (E_RNA)
where:
Base-Base interactions energy: -159.422
where: short stacking energy: -84.699
Base-Backbone interact. energy: -0.321
local terms energy: -96.224856
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -200.878263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878263 (E_RNA)
where:
Base-Base interactions energy: -126.444
where: short stacking energy: -65.735
Base-Backbone interact. energy: -0.339
local terms energy: -74.095342
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -15.387
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: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -177.265382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265382 (E_RNA)
where:
Base-Base interactions energy: -101.457
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.347
local terms energy: -75.461321
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.597
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: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -169.081530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.081530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.081530 (E_RNA)
where:
Base-Base interactions energy: -88.711
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.386
local terms energy: -79.984404
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -424.639783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.639783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.639783 (E_RNA)
where:
Base-Base interactions energy: -303.426
where: short stacking energy: -121.929
Base-Backbone interact. energy: -0.591
local terms energy: -120.623703
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -38.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -385.036445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.036445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.036445 (E_RNA)
where:
Base-Base interactions energy: -265.574
where: short stacking energy: -113.817
Base-Backbone interact. energy: -0.861
local terms energy: -118.601312
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -31.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -383.511068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.511068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.511068 (E_RNA)
where:
Base-Base interactions energy: -279.528
where: short stacking energy: -105.072
Base-Backbone interact. energy: -0.652
local terms energy: -103.330952
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -328.044149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.044149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.044149 (E_RNA)
where:
Base-Base interactions energy: -224.814
where: short stacking energy: -90.394
Base-Backbone interact. energy: -0.140
local terms energy: -103.090144
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -22.488
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: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -325.596300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.596300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.596300 (E_RNA)
where:
Base-Base interactions energy: -221.408
where: short stacking energy: -82.404
Base-Backbone interact. energy: -0.170
local terms energy: -104.018310
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -20.830
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -297.461179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.461179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.461179 (E_RNA)
where:
Base-Base interactions energy: -200.321
where: short stacking energy: -81.223
Base-Backbone interact. energy: -0.180
local terms energy: -96.960199
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -258.561684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.561684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.561684 (E_RNA)
where:
Base-Base interactions energy: -156.387
where: short stacking energy: -87.547
Base-Backbone interact. energy: -1.059
local terms energy: -101.115923
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -22.624
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -191.582611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.582611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.582611 (E_RNA)
where:
Base-Base interactions energy: -98.748
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.582
local terms energy: -92.253411
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -190.847867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.847867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.847867 (E_RNA)
where:
Base-Base interactions energy: -108.375
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.876
local terms energy: -81.596794
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -179.141048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.141048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.141048 (E_RNA)
where:
Base-Base interactions energy: -96.262
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.440
local terms energy: -82.439519
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -411.890720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.890720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.890720 (E_RNA)
where:
Base-Base interactions energy: -285.535
where: short stacking energy: -109.056
Base-Backbone interact. energy: -0.092
local terms energy: -126.263687
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -36.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -399.653275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.653275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.653275 (E_RNA)
where:
Base-Base interactions energy: -283.226
where: short stacking energy: -98.944
Base-Backbone interact. energy: -0.477
local terms energy: -115.950117
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -32.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -376.810175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.810175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.810175 (E_RNA)
where:
Base-Base interactions energy: -264.384
where: short stacking energy: -104.743
Base-Backbone interact. energy: -0.491
local terms energy: -111.934599
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -331.318895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.318895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.318895 (E_RNA)
where:
Base-Base interactions energy: -230.506
where: short stacking energy: -91.474
Base-Backbone interact. energy: -0.654
local terms energy: -100.158153
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -322.897237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.897237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.897237 (E_RNA)
where:
Base-Base interactions energy: -215.793
where: short stacking energy: -95.152
Base-Backbone interact. energy: -0.133
local terms energy: -106.970676
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -25.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -286.640697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.640697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.640697 (E_RNA)
where:
Base-Base interactions energy: -181.226
where: short stacking energy: -89.605
Base-Backbone interact. energy: 1.047
local terms energy: -106.462035
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -284.904049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.904049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.904049 (E_RNA)
where:
Base-Base interactions energy: -190.736
where: short stacking energy: -76.120
Base-Backbone interact. energy: -0.055
local terms energy: -94.112745
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -15.931
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: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -194.582535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.582535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.582535 (E_RNA)
where:
Base-Base interactions energy: -109.961
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.360
local terms energy: -84.261515
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -13.998
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: 143
Temperature: 1.300000
Total energy: -174.510217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.510217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.510217 (E_RNA)
where:
Base-Base interactions energy: -103.685
where: short stacking energy: -53.044
Base-Backbone interact. energy: -0.052
local terms energy: -70.773423
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -5.838
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: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -159.901761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.901761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.901761 (E_RNA)
where:
Base-Base interactions energy: -81.357
where: short stacking energy: -43.676
Base-Backbone interact. energy: -0.252
local terms energy: -78.292989
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -14.709
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: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -398.030781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.030781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.030781 (E_RNA)
where:
Base-Base interactions energy: -290.961
where: short stacking energy: -114.334
Base-Backbone interact. energy: -0.834
local terms energy: -106.235634
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -32.174
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: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -410.943401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.943401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.943401 (E_RNA)
where:
Base-Base interactions energy: -295.932
where: short stacking energy: -120.105
Base-Backbone interact. energy: 0.412
local terms energy: -115.423133
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -35.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -358.491808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.491808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.491808 (E_RNA)
where:
Base-Base interactions energy: -245.779
where: short stacking energy: -101.973
Base-Backbone interact. energy: -0.515
local terms energy: -112.197700
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -27.663
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: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -338.712032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.712032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.712032 (E_RNA)
where:
Base-Base interactions energy: -228.946
where: short stacking energy: -101.027
Base-Backbone interact. energy: -0.320
local terms energy: -109.445878
where:
bonds (distance) C4'-P energy: -27.010
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -27.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -307.863473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.863473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.863473 (E_RNA)
where:
Base-Base interactions energy: -207.910
where: short stacking energy: -97.709
Base-Backbone interact. energy: -0.598
local terms energy: -99.355226
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -5.271
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: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -307.539863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.539863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.539863 (E_RNA)
where:
Base-Base interactions energy: -206.170
where: short stacking energy: -90.432
Base-Backbone interact. energy: -0.422
local terms energy: -100.947819
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -26.084
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: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -269.771699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.771699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.771699 (E_RNA)
where:
Base-Base interactions energy: -170.604
where: short stacking energy: -82.349
Base-Backbone interact. energy: -0.115
local terms energy: -99.052914
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -23.765
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: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -202.124418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.124418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.124418 (E_RNA)
where:
Base-Base interactions energy: -114.337
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.157
local terms energy: -87.630728
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -116.126932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.126932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.126932 (E_RNA)
where:
Base-Base interactions energy: -56.492
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.182
local terms energy: -59.453028
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -139.162050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.162050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.162050 (E_RNA)
where:
Base-Base interactions energy: -77.072
where: short stacking energy: -39.799
Base-Backbone interact. energy: 6.989
local terms energy: -69.079434
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: 0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -398.131945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.131945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.131945 (E_RNA)
where:
Base-Base interactions energy: -283.545
where: short stacking energy: -111.958
Base-Backbone interact. energy: -0.798
local terms energy: -113.788163
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -28.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -407.779393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.779393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.779393 (E_RNA)
where:
Base-Base interactions energy: -289.808
where: short stacking energy: -118.318
Base-Backbone interact. energy: -0.100
local terms energy: -117.871362
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -35.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -367.449018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.449018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.449018 (E_RNA)
where:
Base-Base interactions energy: -252.030
where: short stacking energy: -96.792
Base-Backbone interact. energy: -0.656
local terms energy: -114.763278
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -25.654
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: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -333.918423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.918423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.918423 (E_RNA)
where:
Base-Base interactions energy: -229.176
where: short stacking energy: -88.422
Base-Backbone interact. energy: -0.589
local terms energy: -104.153136
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -309.971931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.971931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.971931 (E_RNA)
where:
Base-Base interactions energy: -209.508
where: short stacking energy: -89.544
Base-Backbone interact. energy: -0.508
local terms energy: -99.956238
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -25.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -291.107606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.107606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.107606 (E_RNA)
where:
Base-Base interactions energy: -188.062
where: short stacking energy: -86.113
Base-Backbone interact. energy: -0.404
local terms energy: -102.641984
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -313.380663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.380663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.380663 (E_RNA)
where:
Base-Base interactions energy: -209.135
where: short stacking energy: -94.412
Base-Backbone interact. energy: -0.613
local terms energy: -103.632566
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -203.634768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.634768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.634768 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -68.715
Base-Backbone interact. energy: 5.982
local terms energy: -81.332801
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -128.814254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.814254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.814254 (E_RNA)
where:
Base-Base interactions energy: -50.343
where: short stacking energy: -50.343
Base-Backbone interact. energy: 1.503
local terms energy: -79.974461
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -12.703
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: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -116.034276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.034276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.034276 (E_RNA)
where:
Base-Base interactions energy: -50.989
where: short stacking energy: -33.728
Base-Backbone interact. energy: -0.038
local terms energy: -65.007756
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.229
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: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -425.337427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.337427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.337427 (E_RNA)
where:
Base-Base interactions energy: -297.247
where: short stacking energy: -121.425
Base-Backbone interact. energy: -0.315
local terms energy: -127.775776
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -38.208
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: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -387.095158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.095158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.095158 (E_RNA)
where:
Base-Base interactions energy: -274.091
where: short stacking energy: -110.708
Base-Backbone interact. energy: 0.181
local terms energy: -113.185217
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -28.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -339.011803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.011803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.011803 (E_RNA)
where:
Base-Base interactions energy: -226.950
where: short stacking energy: -88.903
Base-Backbone interact. energy: -0.942
local terms energy: -111.119841
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -21.678
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: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -358.812237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.812237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.812237 (E_RNA)
where:
Base-Base interactions energy: -249.238
where: short stacking energy: -102.875
Base-Backbone interact. energy: -0.562
local terms energy: -109.011595
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -29.486
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: 146
Temperature: 1.100000
Total energy: -328.889708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.889708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.889708 (E_RNA)
where:
Base-Base interactions energy: -220.624
where: short stacking energy: -94.733
Base-Backbone interact. energy: -1.348
local terms energy: -106.917719
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -11.046
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: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -270.044006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.044006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.044006 (E_RNA)
where:
Base-Base interactions energy: -175.337
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.288
local terms energy: -94.419225
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -278.221163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.221163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.221163 (E_RNA)
where:
Base-Base interactions energy: -171.234
where: short stacking energy: -86.333
Base-Backbone interact. energy: -1.323
local terms energy: -105.664796
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -206.093951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.093951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.093951 (E_RNA)
where:
Base-Base interactions energy: -113.418
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.244
local terms energy: -92.431897
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -119.176494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.176494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.176494 (E_RNA)
where:
Base-Base interactions energy: -46.723
where: short stacking energy: -18.862
Base-Backbone interact. energy: -0.365
local terms energy: -72.088514
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: 5.031
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: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -130.801268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.801268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.801268 (E_RNA)
where:
Base-Base interactions energy: -68.483
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.352
local terms energy: -61.966476
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -421.951719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.951719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.951719 (E_RNA)
where:
Base-Base interactions energy: -297.992
where: short stacking energy: -122.239
Base-Backbone interact. energy: -0.189
local terms energy: -123.770435
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -36.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -396.326586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.326586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.326586 (E_RNA)
where:
Base-Base interactions energy: -279.813
where: short stacking energy: -110.392
Base-Backbone interact. energy: -0.388
local terms energy: -116.125739
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -29.115
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: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -337.546180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.546180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.546180 (E_RNA)
where:
Base-Base interactions energy: -228.408
where: short stacking energy: -102.478
Base-Backbone interact. energy: -0.197
local terms energy: -108.941077
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -19.717
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: 147
Temperature: 1.050000
Total energy: -339.216546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.216546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.216546 (E_RNA)
where:
Base-Base interactions energy: -232.100
where: short stacking energy: -101.366
Base-Backbone interact. energy: 0.461
local terms energy: -107.577991
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -26.681
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: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -358.093928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.093928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.093928 (E_RNA)
where:
Base-Base interactions energy: -247.064
where: short stacking energy: -91.976
Base-Backbone interact. energy: -0.714
local terms energy: -110.315396
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -26.830
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: 147
Temperature: 1.150000
Total energy: -303.055849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.055849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.055849 (E_RNA)
where:
Base-Base interactions energy: -207.387
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.698
local terms energy: -94.970919
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -7.171
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: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -240.514661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.514661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.514661 (E_RNA)
where:
Base-Base interactions energy: -153.035
where: short stacking energy: -67.882
Base-Backbone interact. energy: -0.188
local terms energy: -87.291331
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -13.387
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: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -210.528615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.528615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.528615 (E_RNA)
where:
Base-Base interactions energy: -131.144
where: short stacking energy: -69.465
Base-Backbone interact. energy: 0.746
local terms energy: -80.131136
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -13.798
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: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -140.155013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.155013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.155013 (E_RNA)
where:
Base-Base interactions energy: -51.369
where: short stacking energy: -41.764
Base-Backbone interact. energy: -1.227
local terms energy: -87.559056
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -177.369977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.369977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.369977 (E_RNA)
where:
Base-Base interactions energy: -96.667
where: short stacking energy: -43.026
Base-Backbone interact. energy: 1.849
local terms energy: -82.551985
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -8.669
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: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -422.690062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.690062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.690062 (E_RNA)
where:
Base-Base interactions energy: -302.300
where: short stacking energy: -121.596
Base-Backbone interact. energy: -0.639
local terms energy: -119.750781
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -25.145
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -36.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -385.148236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.148236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.148236 (E_RNA)
where:
Base-Base interactions energy: -272.212
where: short stacking energy: -105.198
Base-Backbone interact. energy: 0.463
local terms energy: -113.398785
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -25.013
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -336.934738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.934738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.934738 (E_RNA)
where:
Base-Base interactions energy: -228.506
where: short stacking energy: -89.374
Base-Backbone interact. energy: -0.091
local terms energy: -108.338110
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -25.830
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: 148
Temperature: 1.050000
Total energy: -332.357925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.357925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.357925 (E_RNA)
where:
Base-Base interactions energy: -237.047
where: short stacking energy: -104.110
Base-Backbone interact. energy: 1.741
local terms energy: -97.051855
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -10.071
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: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -355.054447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.054447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.054447 (E_RNA)
where:
Base-Base interactions energy: -251.722
where: short stacking energy: -99.321
Base-Backbone interact. energy: 0.054
local terms energy: -103.386021
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -29.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -314.698923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.698923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.698923 (E_RNA)
where:
Base-Base interactions energy: -214.796
where: short stacking energy: -87.675
Base-Backbone interact. energy: -0.287
local terms energy: -99.615642
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -249.024729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.024729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.024729 (E_RNA)
where:
Base-Base interactions energy: -165.987
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.047
local terms energy: -82.991181
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -195.272641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.272641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.272641 (E_RNA)
where:
Base-Base interactions energy: -103.703
where: short stacking energy: -55.361
Base-Backbone interact. energy: 1.408
local terms energy: -92.977295
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -192.561861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.561861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.561861 (E_RNA)
where:
Base-Base interactions energy: -106.886
where: short stacking energy: -61.728
Base-Backbone interact. energy: -0.239
local terms energy: -85.436902
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -118.496847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.496847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.496847 (E_RNA)
where:
Base-Base interactions energy: -43.093
where: short stacking energy: -39.384
Base-Backbone interact. energy: -0.180
local terms energy: -75.224610
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -3.807
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: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -429.243885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.243885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.243885 (E_RNA)
where:
Base-Base interactions energy: -305.527
where: short stacking energy: -129.604
Base-Backbone interact. energy: -0.008
local terms energy: -123.709548
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -38.619
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: 149
Temperature: 0.950000
Total energy: -393.736208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.736208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.736208 (E_RNA)
where:
Base-Base interactions energy: -274.260
where: short stacking energy: -107.356
Base-Backbone interact. energy: -1.278
local terms energy: -118.198449
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -30.334
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: 149
Temperature: 1.000000
Total energy: -336.446938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.446938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.446938 (E_RNA)
where:
Base-Base interactions energy: -230.568
where: short stacking energy: -91.763
Base-Backbone interact. energy: -0.151
local terms energy: -105.727835
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -22.544
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: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -352.089639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.089639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.089639 (E_RNA)
where:
Base-Base interactions energy: -237.139
where: short stacking energy: -92.222
Base-Backbone interact. energy: -1.077
local terms energy: -113.873273
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -327.802752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.802752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.802752 (E_RNA)
where:
Base-Base interactions energy: -214.882
where: short stacking energy: -89.801
Base-Backbone interact. energy: -0.004
local terms energy: -112.916372
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -306.041862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.041862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.041862 (E_RNA)
where:
Base-Base interactions energy: -201.642
where: short stacking energy: -97.009
Base-Backbone interact. energy: -0.245
local terms energy: -104.154668
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -19.175
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: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -288.501870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.501870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.501870 (E_RNA)
where:
Base-Base interactions energy: -193.909
where: short stacking energy: -93.246
Base-Backbone interact. energy: -1.716
local terms energy: -92.876602
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -24.877
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: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -218.771485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.771485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.771485 (E_RNA)
where:
Base-Base interactions energy: -130.610
where: short stacking energy: -80.952
Base-Backbone interact. energy: -0.758
local terms energy: -87.403735
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -14.848
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: 9, replica: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -177.804025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.804025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.804025 (E_RNA)
where:
Base-Base interactions energy: -112.529
where: short stacking energy: -54.433
Base-Backbone interact. energy: 0.716
local terms energy: -65.990644
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -3.818
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -123.859022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.859022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.859022 (E_RNA)
where:
Base-Base interactions energy: -52.129
where: short stacking energy: -34.955
Base-Backbone interact. energy: -1.551
local terms energy: -70.178920
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: 0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -425.811664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.811664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.811664 (E_RNA)
where:
Base-Base interactions energy: -306.748
where: short stacking energy: -124.363
Base-Backbone interact. energy: -0.010
local terms energy: -119.053844
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -34.949
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: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -395.692203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.692203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.692203 (E_RNA)
where:
Base-Base interactions energy: -275.543
where: short stacking energy: -107.578
Base-Backbone interact. energy: -0.533
local terms energy: -119.616313
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -30.540
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: 150
Temperature: 1.000000
Total energy: -370.248152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.248152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.248152 (E_RNA)
where:
Base-Base interactions energy: -264.353
where: short stacking energy: -108.812
Base-Backbone interact. energy: 0.182
local terms energy: -106.077080
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -335.531275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.531275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.531275 (E_RNA)
where:
Base-Base interactions energy: -232.500
where: short stacking energy: -105.381
Base-Backbone interact. energy: -0.007
local terms energy: -103.024110
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -33.329
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: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -327.688403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.688403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.688403 (E_RNA)
where:
Base-Base interactions energy: -227.007
where: short stacking energy: -90.813
Base-Backbone interact. energy: -0.530
local terms energy: -100.151474
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -26.074
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: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -306.662225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.662225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.662225 (E_RNA)
where:
Base-Base interactions energy: -206.932
where: short stacking energy: -90.902
Base-Backbone interact. energy: -0.336
local terms energy: -99.394275
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -24.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -300.404670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.404670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.404670 (E_RNA)
where:
Base-Base interactions energy: -195.451
where: short stacking energy: -90.399
Base-Backbone interact. energy: -0.052
local terms energy: -104.901945
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -27.416
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: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -206.197802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.197802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.197802 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -66.747
Base-Backbone interact. energy: -1.552
local terms energy: -88.580402
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -14.382
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: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -141.363965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.363965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.363965 (E_RNA)
where:
Base-Base interactions energy: -44.765
where: short stacking energy: -43.600
Base-Backbone interact. energy: -0.241
local terms energy: -96.357616
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -27.979
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -168.943320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.943320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.943320 (E_RNA)
where:
Base-Base interactions energy: -95.423
where: short stacking energy: -50.515
Base-Backbone interact. energy: 0.202
local terms energy: -73.722436
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -11.365
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: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -421.821956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.821956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.821956 (E_RNA)
where:
Base-Base interactions energy: -302.385
where: short stacking energy: -124.683
Base-Backbone interact. energy: -0.464
local terms energy: -118.973015
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -37.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -395.460321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.460321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.460321 (E_RNA)
where:
Base-Base interactions energy: -276.647
where: short stacking energy: -112.492
Base-Backbone interact. energy: -0.418
local terms energy: -118.395438
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -376.724346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.724346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.724346 (E_RNA)
where:
Base-Base interactions energy: -262.068
where: short stacking energy: -110.109
Base-Backbone interact. energy: -0.312
local terms energy: -114.343762
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -331.401273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.401273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.401273 (E_RNA)
where:
Base-Base interactions energy: -211.209
where: short stacking energy: -98.952
Base-Backbone interact. energy: -0.108
local terms energy: -120.084196
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -28.133
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -326.103258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.103258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.103258 (E_RNA)
where:
Base-Base interactions energy: -218.284
where: short stacking energy: -106.071
Base-Backbone interact. energy: -1.135
local terms energy: -106.684009
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -29.067
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: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -298.106106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.106106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.106106 (E_RNA)
where:
Base-Base interactions energy: -197.936
where: short stacking energy: -81.463
Base-Backbone interact. energy: -0.273
local terms energy: -99.897259
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -307.661114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.661114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.661114 (E_RNA)
where:
Base-Base interactions energy: -204.399
where: short stacking energy: -83.713
Base-Backbone interact. energy: -0.260
local terms energy: -103.002586
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -31.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -228.618609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.618609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.618609 (E_RNA)
where:
Base-Base interactions energy: -152.499
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.686
local terms energy: -75.433279
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -10.245
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: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -127.008953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.008953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.008953 (E_RNA)
where:
Base-Base interactions energy: -46.212
where: short stacking energy: -33.353
Base-Backbone interact. energy: -1.120
local terms energy: -79.677179
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -178.023438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.023438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.023438 (E_RNA)
where:
Base-Base interactions energy: -105.308
where: short stacking energy: -56.937
Base-Backbone interact. energy: -0.142
local terms energy: -72.573111
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -405.434582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.434582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.434582 (E_RNA)
where:
Base-Base interactions energy: -288.583
where: short stacking energy: -105.892
Base-Backbone interact. energy: -0.153
local terms energy: -116.698633
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -411.944606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.944606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.944606 (E_RNA)
where:
Base-Base interactions energy: -294.924
where: short stacking energy: -117.406
Base-Backbone interact. energy: -0.001
local terms energy: -117.019113
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -36.882
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: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -368.659746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.659746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.659746 (E_RNA)
where:
Base-Base interactions energy: -253.203
where: short stacking energy: -105.545
Base-Backbone interact. energy: -0.066
local terms energy: -115.391349
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -30.943
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: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -332.288517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.288517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.288517 (E_RNA)
where:
Base-Base interactions energy: -219.822
where: short stacking energy: -98.674
Base-Backbone interact. energy: -0.102
local terms energy: -112.364611
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -27.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -311.031766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.031766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.031766 (E_RNA)
where:
Base-Base interactions energy: -205.194
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.164
local terms energy: -105.674115
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -21.360
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: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -304.270043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.270043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.270043 (E_RNA)
where:
Base-Base interactions energy: -213.516
where: short stacking energy: -96.781
Base-Backbone interact. energy: -0.372
local terms energy: -90.381815
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -24.547
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: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -221.293678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.293678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.293678 (E_RNA)
where:
Base-Base interactions energy: -137.272
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.646
local terms energy: -83.375714
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -274.325339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.325339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.325339 (E_RNA)
where:
Base-Base interactions energy: -185.215
where: short stacking energy: -80.994
Base-Backbone interact. energy: -0.270
local terms energy: -88.840260
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -12.053
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: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -212.973777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.973777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.973777 (E_RNA)
where:
Base-Base interactions energy: -133.825
where: short stacking energy: -68.520
Base-Backbone interact. energy: -0.212
local terms energy: -78.936257
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -8.757
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: 152
Temperature: 1.350000
Total energy: -122.512548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.512548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.512548 (E_RNA)
where:
Base-Base interactions energy: -44.120
where: short stacking energy: -43.893
Base-Backbone interact. energy: -1.207
local terms energy: -77.185475
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -400.235071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.235071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.235071 (E_RNA)
where:
Base-Base interactions energy: -279.835
where: short stacking energy: -108.696
Base-Backbone interact. energy: -0.043
local terms energy: -120.357976
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -33.033
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: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -410.044962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.044962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.044962 (E_RNA)
where:
Base-Base interactions energy: -291.616
where: short stacking energy: -119.507
Base-Backbone interact. energy: -0.205
local terms energy: -118.223456
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -34.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -387.950886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.950886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.950886 (E_RNA)
where:
Base-Base interactions energy: -272.935
where: short stacking energy: -112.696
Base-Backbone interact. energy: -0.307
local terms energy: -114.709409
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -26.162
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -31.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -331.628947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.628947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.628947 (E_RNA)
where:
Base-Base interactions energy: -225.411
where: short stacking energy: -93.868
Base-Backbone interact. energy: -0.740
local terms energy: -105.477871
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -25.009
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: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -317.135873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.135873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.135873 (E_RNA)
where:
Base-Base interactions energy: -213.373
where: short stacking energy: -83.181
Base-Backbone interact. energy: -0.501
local terms energy: -103.261988
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -15.917
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: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -265.779583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.779583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.779583 (E_RNA)
where:
Base-Base interactions energy: -160.685
where: short stacking energy: -68.492
Base-Backbone interact. energy: 0.005
local terms energy: -105.099533
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -233.960766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.960766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.960766 (E_RNA)
where:
Base-Base interactions energy: -140.573
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.096
local terms energy: -93.290950
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -261.243455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.243455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.243455 (E_RNA)
where:
Base-Base interactions energy: -169.497
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.583
local terms energy: -91.162950
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -12.977
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: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -204.932978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.932978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.932978 (E_RNA)
where:
Base-Base interactions energy: -121.640
where: short stacking energy: -62.733
Base-Backbone interact. energy: -1.241
local terms energy: -82.052103
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -8.970
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: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -117.375889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.375889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.375889 (E_RNA)
where:
Base-Base interactions energy: -52.734
where: short stacking energy: -40.967
Base-Backbone interact. energy: -0.257
local terms energy: -64.385388
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -401.529889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.529889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.529889 (E_RNA)
where:
Base-Base interactions energy: -278.303
where: short stacking energy: -105.833
Base-Backbone interact. energy: 0.141
local terms energy: -123.368153
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -32.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -415.349834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.349834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.349834 (E_RNA)
where:
Base-Base interactions energy: -300.025
where: short stacking energy: -120.069
Base-Backbone interact. energy: -0.002
local terms energy: -115.322702
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -36.290
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: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -335.533635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.533635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.533635 (E_RNA)
where:
Base-Base interactions energy: -219.257
where: short stacking energy: -90.063
Base-Backbone interact. energy: -0.148
local terms energy: -116.128656
where:
bonds (distance) C4'-P energy: -27.048
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -24.458
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -368.244777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.244777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.244777 (E_RNA)
where:
Base-Base interactions energy: -262.114
where: short stacking energy: -110.998
Base-Backbone interact. energy: 0.709
local terms energy: -106.839730
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -26.776
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: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -317.929464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.929464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.929464 (E_RNA)
where:
Base-Base interactions energy: -220.443
where: short stacking energy: -88.495
Base-Backbone interact. energy: 0.301
local terms energy: -97.787096
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -23.752
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: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -247.542042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.542042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.542042 (E_RNA)
where:
Base-Base interactions energy: -161.044
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.418
local terms energy: -86.079850
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -217.035126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.035126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.035126 (E_RNA)
where:
Base-Base interactions energy: -118.154
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.582
local terms energy: -98.299371
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -269.451823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.451823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.451823 (E_RNA)
where:
Base-Base interactions energy: -184.829
where: short stacking energy: -87.755
Base-Backbone interact. energy: -0.197
local terms energy: -84.425763
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -174.587333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.587333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.587333 (E_RNA)
where:
Base-Base interactions energy: -89.178
where: short stacking energy: -47.580
Base-Backbone interact. energy: -0.761
local terms energy: -84.647449
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -115.428717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.428717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.428717 (E_RNA)
where:
Base-Base interactions energy: -46.300
where: short stacking energy: -42.478
Base-Backbone interact. energy: -0.466
local terms energy: -68.662597
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -411.369798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.369798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.369798 (E_RNA)
where:
Base-Base interactions energy: -292.761
where: short stacking energy: -115.807
Base-Backbone interact. energy: -0.546
local terms energy: -118.063258
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -33.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -408.390896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.390896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.390896 (E_RNA)
where:
Base-Base interactions energy: -297.809
where: short stacking energy: -120.786
Base-Backbone interact. energy: -0.011
local terms energy: -110.571142
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -37.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -337.382746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.382746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.382746 (E_RNA)
where:
Base-Base interactions energy: -224.797
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.100
local terms energy: -112.485040
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -358.757834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.757834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.757834 (E_RNA)
where:
Base-Base interactions energy: -244.580
where: short stacking energy: -100.134
Base-Backbone interact. energy: -1.042
local terms energy: -113.135943
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -27.032
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: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -328.759338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.759338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.759338 (E_RNA)
where:
Base-Base interactions energy: -220.310
where: short stacking energy: -92.617
Base-Backbone interact. energy: 1.623
local terms energy: -110.073147
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -234.800565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.800565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.800565 (E_RNA)
where:
Base-Base interactions energy: -143.861
where: short stacking energy: -80.422
Base-Backbone interact. energy: 0.490
local terms energy: -91.429622
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -256.199132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.199132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.199132 (E_RNA)
where:
Base-Base interactions energy: -169.400
where: short stacking energy: -84.481
Base-Backbone interact. energy: 0.365
local terms energy: -87.164761
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -185.130657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.130657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.130657 (E_RNA)
where:
Base-Base interactions energy: -108.536
where: short stacking energy: -58.230
Base-Backbone interact. energy: 0.183
local terms energy: -76.777121
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -11.082
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: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -252.760309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.760309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.760309 (E_RNA)
where:
Base-Base interactions energy: -162.518
where: short stacking energy: -74.212
Base-Backbone interact. energy: 0.555
local terms energy: -90.797343
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -111.618343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.618343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.618343 (E_RNA)
where:
Base-Base interactions energy: -46.292
where: short stacking energy: -35.596
Base-Backbone interact. energy: -0.119
local terms energy: -65.208013
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -14.304
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: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -403.747142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.747142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.747142 (E_RNA)
where:
Base-Base interactions energy: -287.238
where: short stacking energy: -103.581
Base-Backbone interact. energy: -1.066
local terms energy: -115.443716
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -31.702
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: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -407.873702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.873702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.873702 (E_RNA)
where:
Base-Base interactions energy: -282.783
where: short stacking energy: -115.898
Base-Backbone interact. energy: -0.229
local terms energy: -124.861109
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -36.405
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: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -376.708203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.708203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.708203 (E_RNA)
where:
Base-Base interactions energy: -257.016
where: short stacking energy: -106.904
Base-Backbone interact. energy: -0.797
local terms energy: -118.894942
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -29.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -328.711980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.711980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.711980 (E_RNA)
where:
Base-Base interactions energy: -217.817
where: short stacking energy: -101.701
Base-Backbone interact. energy: -0.819
local terms energy: -110.076002
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -23.195
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: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -333.101191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.101191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.101191 (E_RNA)
where:
Base-Base interactions energy: -219.268
where: short stacking energy: -89.215
Base-Backbone interact. energy: 0.583
local terms energy: -114.415576
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -252.303350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.303350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.303350 (E_RNA)
where:
Base-Base interactions energy: -152.460
where: short stacking energy: -80.612
Base-Backbone interact. energy: -0.532
local terms energy: -99.311967
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -229.082934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.082934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.082934 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -77.279
Base-Backbone interact. energy: -0.133
local terms energy: -93.388626
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -200.981289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.981289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.981289 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -66.945
Base-Backbone interact. energy: 0.418
local terms energy: -80.491486
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -17.178
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: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -250.229264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.229264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.229264 (E_RNA)
where:
Base-Base interactions energy: -160.212
where: short stacking energy: -65.918
Base-Backbone interact. energy: -1.971
local terms energy: -88.046811
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -12.569
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -117.480407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.480407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.480407 (E_RNA)
where:
Base-Base interactions energy: -50.417
where: short stacking energy: -31.899
Base-Backbone interact. energy: 1.994
local terms energy: -69.057775
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -13.850
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: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -399.161694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.161694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.161694 (E_RNA)
where:
Base-Base interactions energy: -280.212
where: short stacking energy: -101.835
Base-Backbone interact. energy: -0.525
local terms energy: -118.424065
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -31.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -416.948632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.948632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.948632 (E_RNA)
where:
Base-Base interactions energy: -301.512
where: short stacking energy: -121.583
Base-Backbone interact. energy: -0.258
local terms energy: -115.178901
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -37.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -371.285317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.285317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.285317 (E_RNA)
where:
Base-Base interactions energy: -249.578
where: short stacking energy: -109.194
Base-Backbone interact. energy: -1.020
local terms energy: -120.686470
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -326.401903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.401903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.401903 (E_RNA)
where:
Base-Base interactions energy: -222.769
where: short stacking energy: -99.893
Base-Backbone interact. energy: -0.113
local terms energy: -103.519999
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -309.838546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.838546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.838546 (E_RNA)
where:
Base-Base interactions energy: -198.813
where: short stacking energy: -84.299
Base-Backbone interact. energy: -0.268
local terms energy: -110.756925
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -255.990462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.990462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.990462 (E_RNA)
where:
Base-Base interactions energy: -157.982
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.195
local terms energy: -97.813506
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -17.189
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: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -234.883181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.883181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.883181 (E_RNA)
where:
Base-Base interactions energy: -144.756
where: short stacking energy: -74.851
Base-Backbone interact. energy: -1.262
local terms energy: -88.865404
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -192.483135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.483135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.483135 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.298
local terms energy: -84.726248
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -200.648056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.648056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.648056 (E_RNA)
where:
Base-Base interactions energy: -124.749
where: short stacking energy: -72.206
Base-Backbone interact. energy: 1.246
local terms energy: -77.145209
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -11.683
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: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -112.242374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.242374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.242374 (E_RNA)
where:
Base-Base interactions energy: -50.877
where: short stacking energy: -31.473
Base-Backbone interact. energy: -1.241
local terms energy: -60.124471
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: 1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -421.989820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.989820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.989820 (E_RNA)
where:
Base-Base interactions energy: -292.130
where: short stacking energy: -122.271
Base-Backbone interact. energy: -0.071
local terms energy: -129.789056
where:
bonds (distance) C4'-P energy: -26.199
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -36.070
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: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -398.268257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.268257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.268257 (E_RNA)
where:
Base-Base interactions energy: -277.559
where: short stacking energy: -111.032
Base-Backbone interact. energy: -0.422
local terms energy: -120.286646
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -29.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -325.634431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.634431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.634431 (E_RNA)
where:
Base-Base interactions energy: -228.380
where: short stacking energy: -94.006
Base-Backbone interact. energy: 3.963
local terms energy: -101.216703
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -20.308
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: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -359.356639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.356639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.356639 (E_RNA)
where:
Base-Base interactions energy: -238.590
where: short stacking energy: -94.248
Base-Backbone interact. energy: -0.539
local terms energy: -120.227251
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -31.732
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: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -286.087794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.087794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.087794 (E_RNA)
where:
Base-Base interactions energy: -191.040
where: short stacking energy: -87.918
Base-Backbone interact. energy: -1.413
local terms energy: -93.634602
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -257.593794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.593794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.593794 (E_RNA)
where:
Base-Base interactions energy: -162.263
where: short stacking energy: -72.754
Base-Backbone interact. energy: 0.144
local terms energy: -95.474456
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -15.833
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: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -242.416982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.416982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.416982 (E_RNA)
where:
Base-Base interactions energy: -163.585
where: short stacking energy: -80.788
Base-Backbone interact. energy: 1.691
local terms energy: -80.523088
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -9.159
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: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -211.122057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.122057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.122057 (E_RNA)
where:
Base-Base interactions energy: -132.605
where: short stacking energy: -70.180
Base-Backbone interact. energy: -0.335
local terms energy: -78.182814
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -192.311690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.311690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.311690 (E_RNA)
where:
Base-Base interactions energy: -117.366
where: short stacking energy: -55.276
Base-Backbone interact. energy: 3.277
local terms energy: -78.222715
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -111.742649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.742649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.742649 (E_RNA)
where:
Base-Base interactions energy: -47.364
where: short stacking energy: -42.266
Base-Backbone interact. energy: 1.914
local terms energy: -66.292785
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -2.502
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: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -423.999999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.999999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.999999 (E_RNA)
where:
Base-Base interactions energy: -301.086
where: short stacking energy: -118.361
Base-Backbone interact. energy: -0.295
local terms energy: -122.619053
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -37.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -395.783709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.783709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.783709 (E_RNA)
where:
Base-Base interactions energy: -283.680
where: short stacking energy: -117.130
Base-Backbone interact. energy: 2.109
local terms energy: -114.212687
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -34.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -336.192055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.192055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.192055 (E_RNA)
where:
Base-Base interactions energy: -235.767
where: short stacking energy: -98.169
Base-Backbone interact. energy: 0.348
local terms energy: -100.773315
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -23.252
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: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -353.401278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.401278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.401278 (E_RNA)
where:
Base-Base interactions energy: -240.095
where: short stacking energy: -98.570
Base-Backbone interact. energy: -0.425
local terms energy: -112.881475
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -28.155
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: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -317.333394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.333394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.333394 (E_RNA)
where:
Base-Base interactions energy: -209.173
where: short stacking energy: -100.638
Base-Backbone interact. energy: 0.353
local terms energy: -108.513528
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -16.927
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -259.188559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.188559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.188559 (E_RNA)
where:
Base-Base interactions energy: -170.699
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.117
local terms energy: -88.372969
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -259.339141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.339141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.339141 (E_RNA)
where:
Base-Base interactions energy: -153.484
where: short stacking energy: -79.476
Base-Backbone interact. energy: -0.705
local terms energy: -105.150206
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -27.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -195.121321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.121321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.121321 (E_RNA)
where:
Base-Base interactions energy: -105.618
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.140
local terms energy: -89.363944
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -10.343
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: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -171.598751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.598751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.598751 (E_RNA)
where:
Base-Base interactions energy: -83.701
where: short stacking energy: -33.172
Base-Backbone interact. energy: 0.868
local terms energy: -88.766366
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -160.424808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.424808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.424808 (E_RNA)
where:
Base-Base interactions energy: -84.403
where: short stacking energy: -45.989
Base-Backbone interact. energy: -0.198
local terms energy: -75.824151
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -6.935
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: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -413.024749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.024749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.024749 (E_RNA)
where:
Base-Base interactions energy: -296.020
where: short stacking energy: -116.922
Base-Backbone interact. energy: -0.304
local terms energy: -116.700280
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -25.897
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -34.410
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -382.843324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.843324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.843324 (E_RNA)
where:
Base-Base interactions energy: -276.218
where: short stacking energy: -113.089
Base-Backbone interact. energy: 0.755
local terms energy: -107.380675
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -30.563
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: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -369.378086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.378086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.378086 (E_RNA)
where:
Base-Base interactions energy: -256.491
where: short stacking energy: -103.311
Base-Backbone interact. energy: -0.400
local terms energy: -112.486374
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -26.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -324.666370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.666370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.666370 (E_RNA)
where:
Base-Base interactions energy: -225.688
where: short stacking energy: -89.933
Base-Backbone interact. energy: -0.295
local terms energy: -98.683358
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -314.527570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.527570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.527570 (E_RNA)
where:
Base-Base interactions energy: -208.238
where: short stacking energy: -86.764
Base-Backbone interact. energy: 0.497
local terms energy: -106.787336
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -28.297
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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -229.312728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.312728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.312728 (E_RNA)
where:
Base-Base interactions energy: -124.654
where: short stacking energy: -65.425
Base-Backbone interact. energy: -0.059
local terms energy: -104.599967
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -200.140610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.140610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.140610 (E_RNA)
where:
Base-Base interactions energy: -108.058
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.821
local terms energy: -91.262146
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -229.446978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.446978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.446978 (E_RNA)
where:
Base-Base interactions energy: -142.193
where: short stacking energy: -65.632
Base-Backbone interact. energy: 0.057
local terms energy: -87.311325
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -13.414
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -175.352046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.352046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.352046 (E_RNA)
where:
Base-Base interactions energy: -97.534
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.115
local terms energy: -77.702903
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -6.132
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: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -190.692057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.692057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.692057 (E_RNA)
where:
Base-Base interactions energy: -108.980
where: short stacking energy: -57.707
Base-Backbone interact. energy: 0.421
local terms energy: -82.133425
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -417.029688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.029688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.029688 (E_RNA)
where:
Base-Base interactions energy: -294.362
where: short stacking energy: -118.792
Base-Backbone interact. energy: -0.001
local terms energy: -122.666685
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -36.253
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: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -373.515872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.515872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.515872 (E_RNA)
where:
Base-Base interactions energy: -253.370
where: short stacking energy: -106.477
Base-Backbone interact. energy: -1.446
local terms energy: -118.699921
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -373.009864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.009864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.009864 (E_RNA)
where:
Base-Base interactions energy: -265.655
where: short stacking energy: -109.215
Base-Backbone interact. energy: -0.365
local terms energy: -106.989229
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -29.667
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: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -323.916111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.916111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.916111 (E_RNA)
where:
Base-Base interactions energy: -217.026
where: short stacking energy: -88.155
Base-Backbone interact. energy: -1.108
local terms energy: -105.782566
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -310.522852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.522852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.522852 (E_RNA)
where:
Base-Base interactions energy: -208.634
where: short stacking energy: -83.041
Base-Backbone interact. energy: 0.428
local terms energy: -102.317062
where:
bonds (distance) C4'-P energy: -23.756
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -240.511563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.511563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.511563 (E_RNA)
where:
Base-Base interactions energy: -137.112
where: short stacking energy: -81.173
Base-Backbone interact. energy: -0.069
local terms energy: -103.331229
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -210.568220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.568220 (E_RNA)
where:
Base-Base interactions energy: -125.034
where: short stacking energy: -66.792
Base-Backbone interact. energy: 0.112
local terms energy: -85.646388
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -10.544
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: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -233.276685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.276685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.276685 (E_RNA)
where:
Base-Base interactions energy: -131.550
where: short stacking energy: -68.868
Base-Backbone interact. energy: 1.933
local terms energy: -103.660326
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -24.537
flat angles P-C4'-P energy: -16.602
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: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -174.884117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.884117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.884117 (E_RNA)
where:
Base-Base interactions energy: -110.863
where: short stacking energy: -54.064
Base-Backbone interact. energy: 0.444
local terms energy: -64.464632
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -169.250344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.250344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.250344 (E_RNA)
where:
Base-Base interactions energy: -90.791
where: short stacking energy: -50.699
Base-Backbone interact. energy: 1.329
local terms energy: -79.787946
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -426.910334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.910334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.910334 (E_RNA)
where:
Base-Base interactions energy: -301.575
where: short stacking energy: -122.752
Base-Backbone interact. energy: -0.242
local terms energy: -125.093008
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -37.480
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: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -373.318687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.318687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.318687 (E_RNA)
where:
Base-Base interactions energy: -257.333
where: short stacking energy: -106.819
Base-Backbone interact. energy: -0.235
local terms energy: -115.750969
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -31.250
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: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -362.526478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.526478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.526478 (E_RNA)
where:
Base-Base interactions energy: -251.004
where: short stacking energy: -99.951
Base-Backbone interact. energy: -1.937
local terms energy: -109.585224
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -19.106
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: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -316.574296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.574296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.574296 (E_RNA)
where:
Base-Base interactions energy: -211.686
where: short stacking energy: -90.287
Base-Backbone interact. energy: -0.058
local terms energy: -104.830742
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -23.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -323.558479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.558479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.558479 (E_RNA)
where:
Base-Base interactions energy: -215.543
where: short stacking energy: -95.694
Base-Backbone interact. energy: -0.201
local terms energy: -107.814747
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -263.384955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.384955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.384955 (E_RNA)
where:
Base-Base interactions energy: -155.293
where: short stacking energy: -83.471
Base-Backbone interact. energy: 0.209
local terms energy: -108.300372
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -243.621412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.621412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.621412 (E_RNA)
where:
Base-Base interactions energy: -164.398
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.124
local terms energy: -79.099283
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -16.510
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: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -196.354257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.354257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.354257 (E_RNA)
where:
Base-Base interactions energy: -115.047
where: short stacking energy: -56.530
Base-Backbone interact. energy: -0.537
local terms energy: -80.770845
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -184.922888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.922888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.922888 (E_RNA)
where:
Base-Base interactions energy: -116.045
where: short stacking energy: -57.079
Base-Backbone interact. energy: -1.941
local terms energy: -66.936146
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: 0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -162.358991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.358991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.358991 (E_RNA)
where:
Base-Base interactions energy: -82.705
where: short stacking energy: -32.863
Base-Backbone interact. energy: 1.031
local terms energy: -80.684664
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -422.294550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.294550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.294550 (E_RNA)
where:
Base-Base interactions energy: -306.300
where: short stacking energy: -125.036
Base-Backbone interact. energy: 0.348
local terms energy: -116.341902
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -36.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -365.135643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.135643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.135643 (E_RNA)
where:
Base-Base interactions energy: -257.442
where: short stacking energy: -101.955
Base-Backbone interact. energy: -1.085
local terms energy: -106.608884
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -29.120
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -372.654448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.654448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.654448 (E_RNA)
where:
Base-Base interactions energy: -259.947
where: short stacking energy: -115.153
Base-Backbone interact. energy: -0.377
local terms energy: -112.330471
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -27.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -328.714114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.714114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.714114 (E_RNA)
where:
Base-Base interactions energy: -218.116
where: short stacking energy: -87.085
Base-Backbone interact. energy: -0.592
local terms energy: -110.005845
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -25.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -318.704275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.704275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.704275 (E_RNA)
where:
Base-Base interactions energy: -214.662
where: short stacking energy: -96.508
Base-Backbone interact. energy: -0.208
local terms energy: -103.834180
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -22.343
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: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -273.788357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.788357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.788357 (E_RNA)
where:
Base-Base interactions energy: -177.872
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.200
local terms energy: -95.716746
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -14.838
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: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -254.539074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.539074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.539074 (E_RNA)
where:
Base-Base interactions energy: -166.851
where: short stacking energy: -81.602
Base-Backbone interact. energy: -0.635
local terms energy: -87.053014
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -197.602833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.602833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.602833 (E_RNA)
where:
Base-Base interactions energy: -108.302
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.209
local terms energy: -89.091872
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -11.336
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: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -164.598224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.598224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.598224 (E_RNA)
where:
Base-Base interactions energy: -89.266
where: short stacking energy: -52.796
Base-Backbone interact. energy: -0.400
local terms energy: -74.932369
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -5.941
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: 163
Temperature: 1.350000
Total energy: -194.233567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.233567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.233567 (E_RNA)
where:
Base-Base interactions energy: -111.376
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.455
local terms energy: -82.402028
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -14.056
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: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -418.561869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.561869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.561869 (E_RNA)
where:
Base-Base interactions energy: -294.152
where: short stacking energy: -117.935
Base-Backbone interact. energy: -1.017
local terms energy: -123.393236
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -39.089
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: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -378.929182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.929182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.929182 (E_RNA)
where:
Base-Base interactions energy: -253.895
where: short stacking energy: -105.902
Base-Backbone interact. energy: -0.413
local terms energy: -124.620488
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -31.341
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: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -373.096918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.096918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.096918 (E_RNA)
where:
Base-Base interactions energy: -258.238
where: short stacking energy: -105.157
Base-Backbone interact. energy: -1.542
local terms energy: -113.316971
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -23.925
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: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -328.441556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.441556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.441556 (E_RNA)
where:
Base-Base interactions energy: -218.162
where: short stacking energy: -93.713
Base-Backbone interact. energy: -0.149
local terms energy: -110.130313
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -307.347991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.347991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.347991 (E_RNA)
where:
Base-Base interactions energy: -201.270
where: short stacking energy: -89.329
Base-Backbone interact. energy: -0.556
local terms energy: -105.521793
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -19.422
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: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -330.407671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.407671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.407671 (E_RNA)
where:
Base-Base interactions energy: -234.020
where: short stacking energy: -85.098
Base-Backbone interact. energy: -1.732
local terms energy: -94.655753
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -253.301419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.301419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.301419 (E_RNA)
where:
Base-Base interactions energy: -154.836
where: short stacking energy: -81.805
Base-Backbone interact. energy: -1.212
local terms energy: -97.253876
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -203.581108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.581108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.581108 (E_RNA)
where:
Base-Base interactions energy: -112.083
where: short stacking energy: -59.314
Base-Backbone interact. energy: -0.090
local terms energy: -91.408154
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -11.170
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: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -172.618266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.618266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.618266 (E_RNA)
where:
Base-Base interactions energy: -90.759
where: short stacking energy: -48.068
Base-Backbone interact. energy: -0.244
local terms energy: -81.615693
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -123.125405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.125405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.125405 (E_RNA)
where:
Base-Base interactions energy: -54.379
where: short stacking energy: -47.454
Base-Backbone interact. energy: -0.302
local terms energy: -68.444519
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -419.841002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.841002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.841002 (E_RNA)
where:
Base-Base interactions energy: -291.963
where: short stacking energy: -114.645
Base-Backbone interact. energy: -0.156
local terms energy: -127.721654
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -37.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -378.605365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.605365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.605365 (E_RNA)
where:
Base-Base interactions energy: -258.718
where: short stacking energy: -102.650
Base-Backbone interact. energy: -0.226
local terms energy: -119.660813
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -372.550304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.550304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.550304 (E_RNA)
where:
Base-Base interactions energy: -264.698
where: short stacking energy: -102.575
Base-Backbone interact. energy: -0.069
local terms energy: -107.783386
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -27.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -332.727504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.727504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.727504 (E_RNA)
where:
Base-Base interactions energy: -232.673
where: short stacking energy: -97.948
Base-Backbone interact. energy: -0.079
local terms energy: -99.976055
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -26.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -335.582514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.582514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.582514 (E_RNA)
where:
Base-Base interactions energy: -224.668
where: short stacking energy: -89.109
Base-Backbone interact. energy: -0.160
local terms energy: -110.754887
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -25.297
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: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -324.896971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.896971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.896971 (E_RNA)
where:
Base-Base interactions energy: -223.684
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.046
local terms energy: -101.167506
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -26.954
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: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -272.173359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.173359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.173359 (E_RNA)
where:
Base-Base interactions energy: -174.283
where: short stacking energy: -84.939
Base-Backbone interact. energy: -0.419
local terms energy: -97.471888
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -188.825035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.825035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.825035 (E_RNA)
where:
Base-Base interactions energy: -110.121
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.008
local terms energy: -78.696625
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -198.708969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.708969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.708969 (E_RNA)
where:
Base-Base interactions energy: -121.279
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.161
local terms energy: -77.268983
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -129.510407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.510407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.510407 (E_RNA)
where:
Base-Base interactions energy: -51.454
where: short stacking energy: -33.075
Base-Backbone interact. energy: -1.297
local terms energy: -76.759010
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -1.831
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: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -423.740317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.740317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.740317 (E_RNA)
where:
Base-Base interactions energy: -296.460
where: short stacking energy: -123.468
Base-Backbone interact. energy: 0.383
local terms energy: -127.663265
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -35.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -375.345810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.345810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.345810 (E_RNA)
where:
Base-Base interactions energy: -258.195
where: short stacking energy: -105.581
Base-Backbone interact. energy: 0.461
local terms energy: -117.611658
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -29.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -362.169124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.169124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.169124 (E_RNA)
where:
Base-Base interactions energy: -257.893
where: short stacking energy: -96.470
Base-Backbone interact. energy: 4.597
local terms energy: -108.873055
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -25.871
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: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -339.760504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.760504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.760504 (E_RNA)
where:
Base-Base interactions energy: -217.506
where: short stacking energy: -91.226
Base-Backbone interact. energy: -0.388
local terms energy: -121.866452
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -343.972055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.972055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.972055 (E_RNA)
where:
Base-Base interactions energy: -227.622
where: short stacking energy: -102.422
Base-Backbone interact. energy: -1.249
local terms energy: -115.101113
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -312.100050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.100050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.100050 (E_RNA)
where:
Base-Base interactions energy: -214.535
where: short stacking energy: -92.573
Base-Backbone interact. energy: 0.716
local terms energy: -98.280802
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -287.146184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.146184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.146184 (E_RNA)
where:
Base-Base interactions energy: -189.046
where: short stacking energy: -88.212
Base-Backbone interact. energy: -0.291
local terms energy: -97.808458
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -197.916219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.916219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.916219 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -52.689
Base-Backbone interact. energy: -0.398
local terms energy: -74.108907
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -192.622194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.622194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.622194 (E_RNA)
where:
Base-Base interactions energy: -116.345
where: short stacking energy: -59.507
Base-Backbone interact. energy: -0.118
local terms energy: -76.159086
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -116.455547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.455547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.455547 (E_RNA)
where:
Base-Base interactions energy: -53.275
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.084
local terms energy: -63.097316
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -422.156644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.156644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.156644 (E_RNA)
where:
Base-Base interactions energy: -305.328
where: short stacking energy: -122.891
Base-Backbone interact. energy: -0.046
local terms energy: -116.783373
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -39.390
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -385.705560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.705560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.705560 (E_RNA)
where:
Base-Base interactions energy: -272.433
where: short stacking energy: -110.288
Base-Backbone interact. energy: 1.648
local terms energy: -114.920796
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -27.917
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: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -357.946900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.946900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.946900 (E_RNA)
where:
Base-Base interactions energy: -239.293
where: short stacking energy: -100.686
Base-Backbone interact. energy: -0.208
local terms energy: -118.445945
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -28.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -347.546822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.546822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.546822 (E_RNA)
where:
Base-Base interactions energy: -240.578
where: short stacking energy: -98.694
Base-Backbone interact. energy: -0.011
local terms energy: -106.957933
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -328.155022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.155022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.155022 (E_RNA)
where:
Base-Base interactions energy: -219.198
where: short stacking energy: -93.769
Base-Backbone interact. energy: -0.843
local terms energy: -108.113678
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -294.470652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.470652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.470652 (E_RNA)
where:
Base-Base interactions energy: -197.168
where: short stacking energy: -79.683
Base-Backbone interact. energy: -0.782
local terms energy: -96.521467
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -267.012657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.012657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.012657 (E_RNA)
where:
Base-Base interactions energy: -175.527
where: short stacking energy: -91.473
Base-Backbone interact. energy: -0.135
local terms energy: -91.350656
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -25.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -227.637363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.637363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.637363 (E_RNA)
where:
Base-Base interactions energy: -144.094
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.078
local terms energy: -83.464769
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -10.172
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: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -198.694871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.694871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.694871 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.164
local terms energy: -94.870712
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -13.210
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: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -118.045783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.045783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.045783 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -44.932
Base-Backbone interact. energy: 0.745
local terms energy: -73.858177
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -424.490714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.490714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.490714 (E_RNA)
where:
Base-Base interactions energy: -302.317
where: short stacking energy: -123.731
Base-Backbone interact. energy: -0.013
local terms energy: -122.161156
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -37.074
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: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -375.107109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.107109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.107109 (E_RNA)
where:
Base-Base interactions energy: -258.136
where: short stacking energy: -100.728
Base-Backbone interact. energy: -0.508
local terms energy: -116.462975
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -377.502372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.502372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.502372 (E_RNA)
where:
Base-Base interactions energy: -264.894
where: short stacking energy: -113.156
Base-Backbone interact. energy: -0.569
local terms energy: -112.038833
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -31.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -344.180830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.180830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.180830 (E_RNA)
where:
Base-Base interactions energy: -219.751
where: short stacking energy: -101.899
Base-Backbone interact. energy: -0.641
local terms energy: -123.789019
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -31.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -316.376035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.376035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.376035 (E_RNA)
where:
Base-Base interactions energy: -210.000
where: short stacking energy: -93.989
Base-Backbone interact. energy: -0.294
local terms energy: -106.081435
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -27.300
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: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -318.353690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.353690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.353690 (E_RNA)
where:
Base-Base interactions energy: -228.148
where: short stacking energy: -97.129
Base-Backbone interact. energy: 1.526
local terms energy: -91.731544
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -257.510686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.510686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.510686 (E_RNA)
where:
Base-Base interactions energy: -150.309
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.012
local terms energy: -107.188847
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -22.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -211.414265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.414265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.414265 (E_RNA)
where:
Base-Base interactions energy: -125.646
where: short stacking energy: -55.050
Base-Backbone interact. energy: -0.755
local terms energy: -85.013481
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -7.987
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: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -181.081722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.081722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.081722 (E_RNA)
where:
Base-Base interactions energy: -103.232
where: short stacking energy: -46.924
Base-Backbone interact. energy: -0.705
local terms energy: -77.145032
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -9.418
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: 168
Temperature: 1.350000
Total energy: -113.603343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.603343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.603343 (E_RNA)
where:
Base-Base interactions energy: -39.138
where: short stacking energy: -36.312
Base-Backbone interact. energy: -0.516
local terms energy: -73.949740
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -2.885
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: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -417.547235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.547235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.547235 (E_RNA)
where:
Base-Base interactions energy: -290.124
where: short stacking energy: -119.487
Base-Backbone interact. energy: -0.028
local terms energy: -127.395231
where:
bonds (distance) C4'-P energy: -26.273
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -38.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -378.137249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.137249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.137249 (E_RNA)
where:
Base-Base interactions energy: -265.132
where: short stacking energy: -110.637
Base-Backbone interact. energy: -1.870
local terms energy: -111.134970
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -27.599
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: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -362.977081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.977081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.977081 (E_RNA)
where:
Base-Base interactions energy: -263.373
where: short stacking energy: -100.312
Base-Backbone interact. energy: -0.074
local terms energy: -99.530373
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -25.132
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: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -309.092428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.092428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.092428 (E_RNA)
where:
Base-Base interactions energy: -202.863
where: short stacking energy: -89.928
Base-Backbone interact. energy: -0.054
local terms energy: -106.175320
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -24.536
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: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -341.988786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.988786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.988786 (E_RNA)
where:
Base-Base interactions energy: -237.999
where: short stacking energy: -93.816
Base-Backbone interact. energy: 0.761
local terms energy: -104.750687
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -26.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -293.801816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.801816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.801816 (E_RNA)
where:
Base-Base interactions energy: -198.483
where: short stacking energy: -84.160
Base-Backbone interact. energy: 0.155
local terms energy: -95.473838
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -263.647813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.647813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.647813 (E_RNA)
where:
Base-Base interactions energy: -159.257
where: short stacking energy: -78.079
Base-Backbone interact. energy: -1.127
local terms energy: -103.263072
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -191.618126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.618126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.618126 (E_RNA)
where:
Base-Base interactions energy: -106.380
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.375
local terms energy: -84.863900
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -7.904
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: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -195.670054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.670054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.670054 (E_RNA)
where:
Base-Base interactions energy: -110.525
where: short stacking energy: -55.115
Base-Backbone interact. energy: -0.334
local terms energy: -84.811519
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -135.059801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.059801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.059801 (E_RNA)
where:
Base-Base interactions energy: -58.633
where: short stacking energy: -51.249
Base-Backbone interact. energy: -0.284
local terms energy: -76.142731
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -7.753
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: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -422.271256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.271256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.271256 (E_RNA)
where:
Base-Base interactions energy: -301.361
where: short stacking energy: -115.148
Base-Backbone interact. energy: -0.801
local terms energy: -120.109155
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -38.396
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: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -387.727156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.727156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.727156 (E_RNA)
where:
Base-Base interactions energy: -269.963
where: short stacking energy: -113.758
Base-Backbone interact. energy: -0.676
local terms energy: -117.088879
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -29.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -372.928808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.928808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.928808 (E_RNA)
where:
Base-Base interactions energy: -257.399
where: short stacking energy: -114.726
Base-Backbone interact. energy: -0.409
local terms energy: -115.121361
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -25.940
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -27.560
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: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -327.754492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.754492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.754492 (E_RNA)
where:
Base-Base interactions energy: -220.807
where: short stacking energy: -103.521
Base-Backbone interact. energy: -0.074
local terms energy: -106.873774
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -25.955
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -355.229528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.229528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.229528 (E_RNA)
where:
Base-Base interactions energy: -246.216
where: short stacking energy: -109.311
Base-Backbone interact. energy: -0.438
local terms energy: -108.575991
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -28.195
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: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -308.517772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.517772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.517772 (E_RNA)
where:
Base-Base interactions energy: -210.697
where: short stacking energy: -88.128
Base-Backbone interact. energy: 0.059
local terms energy: -97.880343
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -21.014
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: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -225.015972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.015972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.015972 (E_RNA)
where:
Base-Base interactions energy: -133.253
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.068
local terms energy: -91.694981
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -14.029
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: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -208.626892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.626892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.626892 (E_RNA)
where:
Base-Base interactions energy: -115.198
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.605
local terms energy: -92.823345
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -192.778831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.778831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.778831 (E_RNA)
where:
Base-Base interactions energy: -110.517
where: short stacking energy: -50.117
Base-Backbone interact. energy: -1.107
local terms energy: -81.155746
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -17.005
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: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -115.116171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.116171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.116171 (E_RNA)
where:
Base-Base interactions energy: -26.029
where: short stacking energy: -26.236
Base-Backbone interact. energy: -0.172
local terms energy: -88.914811
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -11.195
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: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -413.811559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.811559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.811559 (E_RNA)
where:
Base-Base interactions energy: -293.083
where: short stacking energy: -113.432
Base-Backbone interact. energy: -0.475
local terms energy: -120.253697
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -32.447
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: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -390.824981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.824981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.824981 (E_RNA)
where:
Base-Base interactions energy: -271.088
where: short stacking energy: -110.216
Base-Backbone interact. energy: 0.727
local terms energy: -120.463506
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -28.204
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: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -359.513993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.513993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.513993 (E_RNA)
where:
Base-Base interactions energy: -248.809
where: short stacking energy: -98.599
Base-Backbone interact. energy: 0.444
local terms energy: -111.148852
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -17.444
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: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -356.056299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.056299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.056299 (E_RNA)
where:
Base-Base interactions energy: -236.290
where: short stacking energy: -97.689
Base-Backbone interact. energy: -0.017
local terms energy: -119.749118
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -29.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -337.097324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.097324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.097324 (E_RNA)
where:
Base-Base interactions energy: -230.572
where: short stacking energy: -102.763
Base-Backbone interact. energy: 1.054
local terms energy: -107.579150
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -309.274824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.274824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.274824 (E_RNA)
where:
Base-Base interactions energy: -217.500
where: short stacking energy: -91.620
Base-Backbone interact. energy: 1.341
local terms energy: -93.115763
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -244.806134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.806134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.806134 (E_RNA)
where:
Base-Base interactions energy: -171.449
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.075
local terms energy: -73.282850
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -4.624
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: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -216.468386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.468386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468386 (E_RNA)
where:
Base-Base interactions energy: -130.463
where: short stacking energy: -76.081
Base-Backbone interact. energy: -0.619
local terms energy: -85.386344
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -182.836040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.836040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.836040 (E_RNA)
where:
Base-Base interactions energy: -112.258
where: short stacking energy: -52.097
Base-Backbone interact. energy: -0.416
local terms energy: -70.161922
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -113.823252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.823252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.823252 (E_RNA)
where:
Base-Base interactions energy: -35.714
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.301
local terms energy: -77.807958
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -403.636021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.636021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.636021 (E_RNA)
where:
Base-Base interactions energy: -282.636
where: short stacking energy: -108.901
Base-Backbone interact. energy: 0.016
local terms energy: -121.015737
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -413.950885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.950885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.950885 (E_RNA)
where:
Base-Base interactions energy: -294.070
where: short stacking energy: -122.992
Base-Backbone interact. energy: -0.208
local terms energy: -119.672636
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -36.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -358.868727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.868727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.868727 (E_RNA)
where:
Base-Base interactions energy: -253.051
where: short stacking energy: -114.873
Base-Backbone interact. energy: -0.002
local terms energy: -105.815424
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -30.850
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: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -357.326221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.326221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.326221 (E_RNA)
where:
Base-Base interactions energy: -248.098
where: short stacking energy: -96.799
Base-Backbone interact. energy: 1.743
local terms energy: -110.970811
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -28.776
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: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -321.364899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.364899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.364899 (E_RNA)
where:
Base-Base interactions energy: -214.692
where: short stacking energy: -86.599
Base-Backbone interact. energy: -0.753
local terms energy: -105.920010
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -294.888006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.888006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.888006 (E_RNA)
where:
Base-Base interactions energy: -194.062
where: short stacking energy: -87.726
Base-Backbone interact. energy: -0.120
local terms energy: -100.706636
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -24.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -239.089973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.089973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.089973 (E_RNA)
where:
Base-Base interactions energy: -150.283
where: short stacking energy: -79.564
Base-Backbone interact. energy: -0.133
local terms energy: -88.673882
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -15.142
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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -234.019797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.019797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.019797 (E_RNA)
where:
Base-Base interactions energy: -144.473
where: short stacking energy: -64.015
Base-Backbone interact. energy: -1.138
local terms energy: -88.408219
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -201.571792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571792 (E_RNA)
where:
Base-Base interactions energy: -119.611
where: short stacking energy: -64.215
Base-Backbone interact. energy: -0.826
local terms energy: -81.135036
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -140.068973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.068973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.068973 (E_RNA)
where:
Base-Base interactions energy: -55.768
where: short stacking energy: -55.768
Base-Backbone interact. energy: 0.150
local terms energy: -84.451869
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -397.522348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.522348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.522348 (E_RNA)
where:
Base-Base interactions energy: -282.146
where: short stacking energy: -108.444
Base-Backbone interact. energy: -0.551
local terms energy: -114.825557
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -31.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -407.201959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.201959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.201959 (E_RNA)
where:
Base-Base interactions energy: -289.774
where: short stacking energy: -119.513
Base-Backbone interact. energy: -0.027
local terms energy: -117.400894
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -35.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -370.019250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.019250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.019250 (E_RNA)
where:
Base-Base interactions energy: -249.035
where: short stacking energy: -115.429
Base-Backbone interact. energy: -0.968
local terms energy: -120.015854
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -31.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -344.309048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.309048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.309048 (E_RNA)
where:
Base-Base interactions energy: -225.686
where: short stacking energy: -98.006
Base-Backbone interact. energy: -0.535
local terms energy: -118.087832
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -316.421253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.421253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.421253 (E_RNA)
where:
Base-Base interactions energy: -220.273
where: short stacking energy: -89.018
Base-Backbone interact. energy: -0.482
local terms energy: -95.666488
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -21.347
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -297.147158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.147158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.147158 (E_RNA)
where:
Base-Base interactions energy: -194.876
where: short stacking energy: -94.866
Base-Backbone interact. energy: 0.181
local terms energy: -102.452735
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -28.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -242.522237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.522237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.522237 (E_RNA)
where:
Base-Base interactions energy: -150.276
where: short stacking energy: -76.824
Base-Backbone interact. energy: -0.070
local terms energy: -92.176469
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -13.786
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: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -265.937170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.937170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.937170 (E_RNA)
where:
Base-Base interactions energy: -179.197
where: short stacking energy: -82.366
Base-Backbone interact. energy: -0.164
local terms energy: -86.575964
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -176.443529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.443529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.443529 (E_RNA)
where:
Base-Base interactions energy: -100.959
where: short stacking energy: -46.668
Base-Backbone interact. energy: -1.220
local terms energy: -74.264061
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -108.600765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.600765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.600765 (E_RNA)
where:
Base-Base interactions energy: -33.266
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.376
local terms energy: -74.958105
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -405.817758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.817758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.817758 (E_RNA)
where:
Base-Base interactions energy: -285.249
where: short stacking energy: -114.390
Base-Backbone interact. energy: -0.118
local terms energy: -120.450917
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -37.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -395.137417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.137417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.137417 (E_RNA)
where:
Base-Base interactions energy: -279.286
where: short stacking energy: -110.098
Base-Backbone interact. energy: -0.277
local terms energy: -115.573714
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -33.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -353.298736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.298736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.298736 (E_RNA)
where:
Base-Base interactions energy: -242.958
where: short stacking energy: -107.749
Base-Backbone interact. energy: 0.771
local terms energy: -111.111716
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -27.033
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: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -336.674905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.674905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.674905 (E_RNA)
where:
Base-Base interactions energy: -224.385
where: short stacking energy: -98.524
Base-Backbone interact. energy: -0.101
local terms energy: -112.188683
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -26.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -323.537990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.537990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.537990 (E_RNA)
where:
Base-Base interactions energy: -226.712
where: short stacking energy: -90.765
Base-Backbone interact. energy: -0.632
local terms energy: -96.193714
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -298.559479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.559479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.559479 (E_RNA)
where:
Base-Base interactions energy: -199.134
where: short stacking energy: -84.675
Base-Backbone interact. energy: 2.331
local terms energy: -101.756616
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -23.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -273.292535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.292535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.292535 (E_RNA)
where:
Base-Base interactions energy: -181.278
where: short stacking energy: -72.554
Base-Backbone interact. energy: -0.308
local terms energy: -91.706696
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -16.530
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: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -212.634947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.634947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.634947 (E_RNA)
where:
Base-Base interactions energy: -126.178
where: short stacking energy: -66.996
Base-Backbone interact. energy: -0.050
local terms energy: -86.406958
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -131.707495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.707495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.707495 (E_RNA)
where:
Base-Base interactions energy: -50.859
where: short stacking energy: -43.468
Base-Backbone interact. energy: 2.884
local terms energy: -83.732580
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -173.631719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.631719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.631719 (E_RNA)
where:
Base-Base interactions energy: -101.150
where: short stacking energy: -37.776
Base-Backbone interact. energy: -0.349
local terms energy: -72.132688
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -11.570
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: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -416.346901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.346901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.346901 (E_RNA)
where:
Base-Base interactions energy: -293.267
where: short stacking energy: -121.100
Base-Backbone interact. energy: -0.005
local terms energy: -123.074744
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -36.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -374.366672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.366672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.366672 (E_RNA)
where:
Base-Base interactions energy: -258.157
where: short stacking energy: -111.242
Base-Backbone interact. energy: -0.177
local terms energy: -116.033134
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -386.964356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.964356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.964356 (E_RNA)
where:
Base-Base interactions energy: -266.292
where: short stacking energy: -104.706
Base-Backbone interact. energy: -0.810
local terms energy: -119.861802
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -358.856039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.856039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.856039 (E_RNA)
where:
Base-Base interactions energy: -259.329
where: short stacking energy: -102.588
Base-Backbone interact. energy: 1.117
local terms energy: -100.643492
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -321.902161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.902161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.902161 (E_RNA)
where:
Base-Base interactions energy: -200.944
where: short stacking energy: -84.044
Base-Backbone interact. energy: -0.043
local terms energy: -120.915400
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -29.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -294.412352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.412352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.412352 (E_RNA)
where:
Base-Base interactions energy: -202.742
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.238
local terms energy: -91.431732
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -17.045
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: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -290.489473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.489473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.489473 (E_RNA)
where:
Base-Base interactions energy: -189.277
where: short stacking energy: -86.128
Base-Backbone interact. energy: 0.346
local terms energy: -101.558547
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -24.831
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: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -222.477957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.477957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.477957 (E_RNA)
where:
Base-Base interactions energy: -122.559
where: short stacking energy: -70.498
Base-Backbone interact. energy: 0.610
local terms energy: -100.529221
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -14.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -134.532145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.532145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.532145 (E_RNA)
where:
Base-Base interactions energy: -60.386
where: short stacking energy: -50.773
Base-Backbone interact. energy: -0.472
local terms energy: -73.674402
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -126.104787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.104787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.104787 (E_RNA)
where:
Base-Base interactions energy: -61.700
where: short stacking energy: -33.000
Base-Backbone interact. energy: 0.374
local terms energy: -64.778454
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: 6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -426.152031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.152031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.152031 (E_RNA)
where:
Base-Base interactions energy: -305.173
where: short stacking energy: -124.521
Base-Backbone interact. energy: -0.050
local terms energy: -120.928714
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -38.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -369.531675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.531675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.531675 (E_RNA)
where:
Base-Base interactions energy: -243.998
where: short stacking energy: -101.445
Base-Backbone interact. energy: -0.514
local terms energy: -125.018759
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -32.800
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: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -368.593247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.593247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.593247 (E_RNA)
where:
Base-Base interactions energy: -258.351
where: short stacking energy: -106.013
Base-Backbone interact. energy: -0.132
local terms energy: -110.110355
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -26.577
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: 176
Temperature: 1.050000
Total energy: -373.263052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.263052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.263052 (E_RNA)
where:
Base-Base interactions energy: -270.309
where: short stacking energy: -111.956
Base-Backbone interact. energy: -0.198
local terms energy: -102.755890
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -313.307723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.307723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.307723 (E_RNA)
where:
Base-Base interactions energy: -212.733
where: short stacking energy: -104.168
Base-Backbone interact. energy: -0.042
local terms energy: -100.532159
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -301.001034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.001034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.001034 (E_RNA)
where:
Base-Base interactions energy: -199.768
where: short stacking energy: -84.968
Base-Backbone interact. energy: -0.662
local terms energy: -100.570757
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -270.379600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.379600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.379600 (E_RNA)
where:
Base-Base interactions energy: -177.736
where: short stacking energy: -74.108
Base-Backbone interact. energy: -0.624
local terms energy: -92.020165
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -8.017
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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -215.460482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.460482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.460482 (E_RNA)
where:
Base-Base interactions energy: -136.474
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.173
local terms energy: -78.813054
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -13.814
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: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -119.277831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.277831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.277831 (E_RNA)
where:
Base-Base interactions energy: -48.864
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.782
local terms energy: -69.631238
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -112.853231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.853231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.853231 (E_RNA)
where:
Base-Base interactions energy: -43.272
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.271
local terms energy: -69.309861
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -426.408724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.408724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.408724 (E_RNA)
where:
Base-Base interactions energy: -299.402
where: short stacking energy: -125.915
Base-Backbone interact. energy: -0.009
local terms energy: -126.997459
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -39.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -373.123440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.123440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.123440 (E_RNA)
where:
Base-Base interactions energy: -253.386
where: short stacking energy: -107.440
Base-Backbone interact. energy: -0.243
local terms energy: -119.494246
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -28.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -356.636781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.636781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.636781 (E_RNA)
where:
Base-Base interactions energy: -247.629
where: short stacking energy: -108.180
Base-Backbone interact. energy: 1.290
local terms energy: -110.298403
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -363.098770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.098770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.098770 (E_RNA)
where:
Base-Base interactions energy: -264.299
where: short stacking energy: -94.789
Base-Backbone interact. energy: -0.335
local terms energy: -98.464849
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -22.506
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: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -316.190123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.190123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.190123 (E_RNA)
where:
Base-Base interactions energy: -209.914
where: short stacking energy: -92.803
Base-Backbone interact. energy: -0.191
local terms energy: -106.085502
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -24.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -268.752586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.752586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.752586 (E_RNA)
where:
Base-Base interactions energy: -186.009
where: short stacking energy: -83.222
Base-Backbone interact. energy: -0.408
local terms energy: -82.334888
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -5.403
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: 177
Temperature: 1.200000
Total energy: -275.598927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.598927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.598927 (E_RNA)
where:
Base-Base interactions energy: -195.026
where: short stacking energy: -80.419
Base-Backbone interact. energy: -0.255
local terms energy: -80.318024
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -232.740871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.740871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.740871 (E_RNA)
where:
Base-Base interactions energy: -143.760
where: short stacking energy: -77.695
Base-Backbone interact. energy: -0.513
local terms energy: -88.467009
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -120.689049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.689049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.689049 (E_RNA)
where:
Base-Base interactions energy: -57.664
where: short stacking energy: -42.817
Base-Backbone interact. energy: -0.156
local terms energy: -62.869082
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -117.399100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.399100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.399100 (E_RNA)
where:
Base-Base interactions energy: -50.207
where: short stacking energy: -45.787
Base-Backbone interact. energy: -0.725
local terms energy: -66.466791
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -12.065
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: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -421.590010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.590010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.590010 (E_RNA)
where:
Base-Base interactions energy: -298.245
where: short stacking energy: -111.094
Base-Backbone interact. energy: -0.159
local terms energy: -123.186102
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -35.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -365.364168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.364168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.364168 (E_RNA)
where:
Base-Base interactions energy: -250.273
where: short stacking energy: -104.589
Base-Backbone interact. energy: -0.450
local terms energy: -114.641401
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -26.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -396.842717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.842717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.842717 (E_RNA)
where:
Base-Base interactions energy: -277.268
where: short stacking energy: -106.263
Base-Backbone interact. energy: -1.049
local terms energy: -118.525402
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: -32.506
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: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -338.196553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.196553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.196553 (E_RNA)
where:
Base-Base interactions energy: -238.098
where: short stacking energy: -105.001
Base-Backbone interact. energy: 1.180
local terms energy: -101.278575
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -291.155065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.155065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.155065 (E_RNA)
where:
Base-Base interactions energy: -198.187
where: short stacking energy: -85.403
Base-Backbone interact. energy: 1.785
local terms energy: -94.753837
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -20.256
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: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -299.058372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.058372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.058372 (E_RNA)
where:
Base-Base interactions energy: -199.003
where: short stacking energy: -90.222
Base-Backbone interact. energy: -0.016
local terms energy: -100.039028
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -307.318953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.318953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.318953 (E_RNA)
where:
Base-Base interactions energy: -218.134
where: short stacking energy: -86.299
Base-Backbone interact. energy: -0.434
local terms energy: -88.751071
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -222.063091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.063091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063091 (E_RNA)
where:
Base-Base interactions energy: -127.829
where: short stacking energy: -64.704
Base-Backbone interact. energy: -1.284
local terms energy: -92.950278
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -12.308
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: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -106.066007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.066007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.066007 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.025
local terms energy: -74.997238
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -111.570524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.570524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.570524 (E_RNA)
where:
Base-Base interactions energy: -40.053
where: short stacking energy: -34.185
Base-Backbone interact. energy: -0.276
local terms energy: -71.241477
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -3.473
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: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -423.309779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.309779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.309779 (E_RNA)
where:
Base-Base interactions energy: -301.733
where: short stacking energy: -120.799
Base-Backbone interact. energy: -0.124
local terms energy: -121.452987
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -38.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -391.389383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.389383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.389383 (E_RNA)
where:
Base-Base interactions energy: -280.800
where: short stacking energy: -103.006
Base-Backbone interact. energy: -0.278
local terms energy: -110.310717
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -28.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -373.927441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.927441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.927441 (E_RNA)
where:
Base-Base interactions energy: -265.055
where: short stacking energy: -103.454
Base-Backbone interact. energy: -0.441
local terms energy: -108.431037
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -28.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -307.423004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.423004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.423004 (E_RNA)
where:
Base-Base interactions energy: -195.793
where: short stacking energy: -87.975
Base-Backbone interact. energy: -0.206
local terms energy: -111.423589
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -26.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -341.962490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.962490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.962490 (E_RNA)
where:
Base-Base interactions energy: -236.750
where: short stacking energy: -96.198
Base-Backbone interact. energy: -1.100
local terms energy: -104.113074
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -294.755158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.755158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.755158 (E_RNA)
where:
Base-Base interactions energy: -198.635
where: short stacking energy: -81.346
Base-Backbone interact. energy: -0.188
local terms energy: -95.932291
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -22.498
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: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -294.308853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.308853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.308853 (E_RNA)
where:
Base-Base interactions energy: -195.864
where: short stacking energy: -96.525
Base-Backbone interact. energy: -0.602
local terms energy: -97.843025
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -21.951
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: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -223.854886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.854886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.854886 (E_RNA)
where:
Base-Base interactions energy: -132.974
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.500
local terms energy: -90.380858
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -145.129203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.129203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.129203 (E_RNA)
where:
Base-Base interactions energy: -78.595
where: short stacking energy: -39.104
Base-Backbone interact. energy: -0.471
local terms energy: -66.062922
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.034
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: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -140.495210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.495210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.495210 (E_RNA)
where:
Base-Base interactions energy: -51.395
where: short stacking energy: -49.804
Base-Backbone interact. energy: -0.181
local terms energy: -88.918743
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -407.241316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.241316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.241316 (E_RNA)
where:
Base-Base interactions energy: -292.849
where: short stacking energy: -114.077
Base-Backbone interact. energy: -0.944
local terms energy: -113.448201
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -29.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -396.368575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.368575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.368575 (E_RNA)
where:
Base-Base interactions energy: -276.744
where: short stacking energy: -115.953
Base-Backbone interact. energy: -0.005
local terms energy: -119.620348
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -35.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -370.052713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.052713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.052713 (E_RNA)
where:
Base-Base interactions energy: -246.653
where: short stacking energy: -102.144
Base-Backbone interact. energy: -0.118
local terms energy: -123.281836
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -33.536
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: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -323.032390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.032390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.032390 (E_RNA)
where:
Base-Base interactions energy: -210.782
where: short stacking energy: -109.874
Base-Backbone interact. energy: -0.261
local terms energy: -111.988619
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -26.591
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: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -309.093910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.093910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.093910 (E_RNA)
where:
Base-Base interactions energy: -206.676
where: short stacking energy: -85.990
Base-Backbone interact. energy: -0.353
local terms energy: -102.065453
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -21.830
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: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -336.479296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.479296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.479296 (E_RNA)
where:
Base-Base interactions energy: -228.538
where: short stacking energy: -103.808
Base-Backbone interact. energy: -0.181
local terms energy: -107.759838
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -30.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -223.722563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.722563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.722563 (E_RNA)
where:
Base-Base interactions energy: -145.704
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.107
local terms energy: -77.910880
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -287.145406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.145406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.145406 (E_RNA)
where:
Base-Base interactions energy: -191.575
where: short stacking energy: -82.670
Base-Backbone interact. energy: -0.132
local terms energy: -95.438420
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -23.183
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: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -205.813598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.813598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.813598 (E_RNA)
where:
Base-Base interactions energy: -118.732
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.093
local terms energy: -86.989142
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -13.880
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: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -109.703396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.703396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.703396 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.123
local terms energy: -72.532538
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -404.151209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.151209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.151209 (E_RNA)
where:
Base-Base interactions energy: -285.661
where: short stacking energy: -102.667
Base-Backbone interact. energy: -0.492
local terms energy: -117.998264
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -29.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -408.617860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.617860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.617860 (E_RNA)
where:
Base-Base interactions energy: -287.006
where: short stacking energy: -115.331
Base-Backbone interact. energy: -0.427
local terms energy: -121.184306
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -38.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -373.943551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.943551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.943551 (E_RNA)
where:
Base-Base interactions energy: -258.270
where: short stacking energy: -107.935
Base-Backbone interact. energy: 0.780
local terms energy: -116.452789
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -28.830
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: 181
Temperature: 1.050000
Total energy: -303.846344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.846344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.846344 (E_RNA)
where:
Base-Base interactions energy: -191.705
where: short stacking energy: -81.145
Base-Backbone interact. energy: -0.186
local terms energy: -111.955363
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -20.504
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: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -308.223846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.223846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.223846 (E_RNA)
where:
Base-Base interactions energy: -201.773
where: short stacking energy: -93.745
Base-Backbone interact. energy: -0.209
local terms energy: -106.241868
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -28.338
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: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -318.582473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.582473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.582473 (E_RNA)
where:
Base-Base interactions energy: -206.711
where: short stacking energy: -97.791
Base-Backbone interact. energy: -1.423
local terms energy: -110.448478
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -25.245
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: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -222.012583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.012583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.012583 (E_RNA)
where:
Base-Base interactions energy: -140.280
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.318
local terms energy: -81.415276
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -297.372721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.372721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.372721 (E_RNA)
where:
Base-Base interactions energy: -200.467
where: short stacking energy: -76.815
Base-Backbone interact. energy: -1.067
local terms energy: -95.838773
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -22.623
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: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -211.806969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.806969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.806969 (E_RNA)
where:
Base-Base interactions energy: -124.683
where: short stacking energy: -65.718
Base-Backbone interact. energy: 0.727
local terms energy: -87.850718
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -16.734
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: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -103.557681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.557681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.557681 (E_RNA)
where:
Base-Base interactions energy: -42.948
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.274
local terms energy: -60.336382
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -0.707
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -424.385760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.385760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.385760 (E_RNA)
where:
Base-Base interactions energy: -300.277
where: short stacking energy: -117.467
Base-Backbone interact. energy: -0.046
local terms energy: -124.062987
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -36.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -392.237269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.237269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.237269 (E_RNA)
where:
Base-Base interactions energy: -280.911
where: short stacking energy: -107.207
Base-Backbone interact. energy: -0.632
local terms energy: -110.694249
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -25.427
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -27.433
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: 182
Temperature: 1.000000
Total energy: -362.690284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.690284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.690284 (E_RNA)
where:
Base-Base interactions energy: -248.145
where: short stacking energy: -101.767
Base-Backbone interact. energy: -2.936
local terms energy: -111.609069
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -32.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -318.987670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.987670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.987670 (E_RNA)
where:
Base-Base interactions energy: -219.069
where: short stacking energy: -95.463
Base-Backbone interact. energy: -0.002
local terms energy: -99.917108
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -24.777
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: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -340.298115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.298115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.298115 (E_RNA)
where:
Base-Base interactions energy: -232.592
where: short stacking energy: -98.456
Base-Backbone interact. energy: -0.064
local terms energy: -107.642335
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -28.736
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: -275.749190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.749190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.749190 (E_RNA)
where:
Base-Base interactions energy: -185.010
where: short stacking energy: -82.404
Base-Backbone interact. energy: -0.465
local terms energy: -90.274138
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -16.097
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: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -295.946053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.946053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.946053 (E_RNA)
where:
Base-Base interactions energy: -194.674
where: short stacking energy: -86.938
Base-Backbone interact. energy: -0.624
local terms energy: -100.647320
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -19.870
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: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -219.310758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.310758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.310758 (E_RNA)
where:
Base-Base interactions energy: -132.023
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.752
local terms energy: -86.534893
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -179.106935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.106935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.106935 (E_RNA)
where:
Base-Base interactions energy: -110.121
where: short stacking energy: -58.319
Base-Backbone interact. energy: 0.074
local terms energy: -69.059756
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -105.848735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.848735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.848735 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -36.999
Base-Backbone interact. energy: 0.084
local terms energy: -70.282854
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: 2.192
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: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -422.396290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.396290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.396290 (E_RNA)
where:
Base-Base interactions energy: -293.046
where: short stacking energy: -119.278
Base-Backbone interact. energy: -0.059
local terms energy: -129.291580
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -38.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -393.765356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.765356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.765356 (E_RNA)
where:
Base-Base interactions energy: -288.321
where: short stacking energy: -106.261
Base-Backbone interact. energy: -0.475
local terms energy: -104.969135
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -24.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -360.954011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.954011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.954011 (E_RNA)
where:
Base-Base interactions energy: -250.101
where: short stacking energy: -102.851
Base-Backbone interact. energy: -0.892
local terms energy: -109.961696
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -28.542
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -329.115816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.115816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.115816 (E_RNA)
where:
Base-Base interactions energy: -221.918
where: short stacking energy: -86.011
Base-Backbone interact. energy: 0.871
local terms energy: -108.068345
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -317.473289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.473289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.473289 (E_RNA)
where:
Base-Base interactions energy: -213.789
where: short stacking energy: -103.291
Base-Backbone interact. energy: -0.274
local terms energy: -103.410258
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -27.838
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: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -309.140954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.140954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.140954 (E_RNA)
where:
Base-Base interactions energy: -202.612
where: short stacking energy: -88.373
Base-Backbone interact. energy: 0.053
local terms energy: -106.581642
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -284.184508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.184508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.184508 (E_RNA)
where:
Base-Base interactions energy: -195.099
where: short stacking energy: -80.799
Base-Backbone interact. energy: -0.860
local terms energy: -88.226278
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -214.559050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.559050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.559050 (E_RNA)
where:
Base-Base interactions energy: -135.051
where: short stacking energy: -63.208
Base-Backbone interact. energy: -0.671
local terms energy: -78.837262
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -4.847
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: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -163.205651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.205651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.205651 (E_RNA)
where:
Base-Base interactions energy: -89.133
where: short stacking energy: -47.371
Base-Backbone interact. energy: -0.621
local terms energy: -73.451595
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -132.435151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.435151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.435151 (E_RNA)
where:
Base-Base interactions energy: -64.964
where: short stacking energy: -46.263
Base-Backbone interact. energy: -0.397
local terms energy: -67.073854
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -4.159
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: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -416.562810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.562810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.562810 (E_RNA)
where:
Base-Base interactions energy: -289.831
where: short stacking energy: -118.502
Base-Backbone interact. energy: -0.043
local terms energy: -126.689031
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -36.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -399.707067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.707067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.707067 (E_RNA)
where:
Base-Base interactions energy: -283.433
where: short stacking energy: -116.665
Base-Backbone interact. energy: -0.510
local terms energy: -115.764613
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -29.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -367.823045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.823045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.823045 (E_RNA)
where:
Base-Base interactions energy: -260.586
where: short stacking energy: -114.999
Base-Backbone interact. energy: -0.032
local terms energy: -107.204352
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -29.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -347.898944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.898944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.898944 (E_RNA)
where:
Base-Base interactions energy: -236.912
where: short stacking energy: -95.562
Base-Backbone interact. energy: -0.033
local terms energy: -110.953953
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -316.204421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.204421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.204421 (E_RNA)
where:
Base-Base interactions energy: -223.383
where: short stacking energy: -86.219
Base-Backbone interact. energy: 1.176
local terms energy: -93.997460
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -320.892375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.892375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.892375 (E_RNA)
where:
Base-Base interactions energy: -220.067
where: short stacking energy: -93.731
Base-Backbone interact. energy: -0.903
local terms energy: -99.922593
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -24.932
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: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -319.080741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.080741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.080741 (E_RNA)
where:
Base-Base interactions energy: -222.965
where: short stacking energy: -91.733
Base-Backbone interact. energy: -0.535
local terms energy: -95.581479
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -26.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -237.159830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.159830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.159830 (E_RNA)
where:
Base-Base interactions energy: -149.983
where: short stacking energy: -72.326
Base-Backbone interact. energy: -0.706
local terms energy: -86.471567
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.132
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: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -151.055249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.055249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.055249 (E_RNA)
where:
Base-Base interactions energy: -80.166
where: short stacking energy: -48.331
Base-Backbone interact. energy: -1.314
local terms energy: -69.575313
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -156.375190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.375190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.375190 (E_RNA)
where:
Base-Base interactions energy: -92.664
where: short stacking energy: -49.207
Base-Backbone interact. energy: -0.546
local terms energy: -63.165689
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -5.892
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: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -418.572553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.572553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.572553 (E_RNA)
where:
Base-Base interactions energy: -296.543
where: short stacking energy: -120.297
Base-Backbone interact. energy: -0.258
local terms energy: -121.770824
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -36.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -379.242095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.242095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.242095 (E_RNA)
where:
Base-Base interactions energy: -265.544
where: short stacking energy: -113.631
Base-Backbone interact. energy: -0.366
local terms energy: -113.331775
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -29.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -398.065303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.065303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.065303 (E_RNA)
where:
Base-Base interactions energy: -283.201
where: short stacking energy: -106.858
Base-Backbone interact. energy: -0.433
local terms energy: -114.430683
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -31.218
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: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -339.329038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.329038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.329038 (E_RNA)
where:
Base-Base interactions energy: -225.872
where: short stacking energy: -98.840
Base-Backbone interact. energy: -1.259
local terms energy: -112.198570
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -28.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -318.693752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.693752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.693752 (E_RNA)
where:
Base-Base interactions energy: -218.780
where: short stacking energy: -88.579
Base-Backbone interact. energy: -0.148
local terms energy: -99.765778
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -330.552016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.552016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.552016 (E_RNA)
where:
Base-Base interactions energy: -230.571
where: short stacking energy: -95.800
Base-Backbone interact. energy: -0.305
local terms energy: -99.675782
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -30.151
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: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -295.185177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.185177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.185177 (E_RNA)
where:
Base-Base interactions energy: -201.951
where: short stacking energy: -82.202
Base-Backbone interact. energy: -0.526
local terms energy: -92.708148
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -17.440
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -265.806579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.806579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.806579 (E_RNA)
where:
Base-Base interactions energy: -155.597
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.025
local terms energy: -110.184173
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -22.631
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -121.818778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.818778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.818778 (E_RNA)
where:
Base-Base interactions energy: -63.558
where: short stacking energy: -45.892
Base-Backbone interact. energy: -0.382
local terms energy: -57.879326
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -3.451
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: 185
Temperature: 1.350000
Total energy: -128.594145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.594145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.594145 (E_RNA)
where:
Base-Base interactions energy: -40.835
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.381
local terms energy: -87.377689
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -421.574135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.574135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.574135 (E_RNA)
where:
Base-Base interactions energy: -306.203
where: short stacking energy: -119.673
Base-Backbone interact. energy: -0.197
local terms energy: -115.174441
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -36.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -380.669654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.669654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.669654 (E_RNA)
where:
Base-Base interactions energy: -265.700
where: short stacking energy: -106.041
Base-Backbone interact. energy: -0.468
local terms energy: -114.501108
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -30.785
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -371.436274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.436274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.436274 (E_RNA)
where:
Base-Base interactions energy: -261.540
where: short stacking energy: -104.075
Base-Backbone interact. energy: -0.384
local terms energy: -109.512132
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -349.550122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.550122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.550122 (E_RNA)
where:
Base-Base interactions energy: -243.069
where: short stacking energy: -95.512
Base-Backbone interact. energy: -0.117
local terms energy: -106.364761
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -312.502533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.502533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.502533 (E_RNA)
where:
Base-Base interactions energy: -211.681
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.330
local terms energy: -100.491808
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -303.008004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.008004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.008004 (E_RNA)
where:
Base-Base interactions energy: -198.356
where: short stacking energy: -80.284
Base-Backbone interact. energy: -0.872
local terms energy: -103.780220
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -258.958542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.958542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.958542 (E_RNA)
where:
Base-Base interactions energy: -168.646
where: short stacking energy: -69.191
Base-Backbone interact. energy: -0.164
local terms energy: -90.148887
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -16.116
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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -264.571814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.571814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.571814 (E_RNA)
where:
Base-Base interactions energy: -170.399
where: short stacking energy: -85.513
Base-Backbone interact. energy: -0.036
local terms energy: -94.136980
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -171.127645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.127645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.127645 (E_RNA)
where:
Base-Base interactions energy: -91.048
where: short stacking energy: -47.544
Base-Backbone interact. energy: 1.171
local terms energy: -81.251368
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -9.866
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: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -112.503494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.503494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.503494 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -35.318
Base-Backbone interact. energy: -0.752
local terms energy: -72.713523
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: 1.623
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: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -421.795832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.795832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.795832 (E_RNA)
where:
Base-Base interactions energy: -300.696
where: short stacking energy: -118.081
Base-Backbone interact. energy: -0.218
local terms energy: -120.882373
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -39.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -379.900140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.900140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.900140 (E_RNA)
where:
Base-Base interactions energy: -265.017
where: short stacking energy: -109.707
Base-Backbone interact. energy: -0.193
local terms energy: -114.690290
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -32.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -392.061681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.061681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.061681 (E_RNA)
where:
Base-Base interactions energy: -278.941
where: short stacking energy: -103.945
Base-Backbone interact. energy: 3.785
local terms energy: -116.905513
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -29.572
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: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -358.747381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.747381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.747381 (E_RNA)
where:
Base-Base interactions energy: -256.173
where: short stacking energy: -102.523
Base-Backbone interact. energy: -0.285
local terms energy: -102.289073
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -24.866
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: 187
Temperature: 1.100000
Total energy: -321.122646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.122646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.122646 (E_RNA)
where:
Base-Base interactions energy: -226.288
where: short stacking energy: -93.135
Base-Backbone interact. energy: -0.305
local terms energy: -94.529692
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -315.764272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.764272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.764272 (E_RNA)
where:
Base-Base interactions energy: -210.261
where: short stacking energy: -96.127
Base-Backbone interact. energy: -0.540
local terms energy: -104.963115
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -23.725
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: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -249.763895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.763895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.763895 (E_RNA)
where:
Base-Base interactions energy: -148.831
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.590
local terms energy: -100.342561
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -302.313791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.313791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.313791 (E_RNA)
where:
Base-Base interactions energy: -210.359
where: short stacking energy: -87.159
Base-Backbone interact. energy: -0.635
local terms energy: -91.320054
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -16.194
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: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -174.976928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.976928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.976928 (E_RNA)
where:
Base-Base interactions energy: -86.679
where: short stacking energy: -49.361
Base-Backbone interact. energy: 0.109
local terms energy: -88.406805
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -108.736116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.736116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.736116 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.186
local terms energy: -68.787932
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -428.261012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.261012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.261012 (E_RNA)
where:
Base-Base interactions energy: -305.991
where: short stacking energy: -127.028
Base-Backbone interact. energy: -0.041
local terms energy: -122.229247
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -37.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -375.625120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.625120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.625120 (E_RNA)
where:
Base-Base interactions energy: -266.721
where: short stacking energy: -109.183
Base-Backbone interact. energy: 0.623
local terms energy: -109.526762
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -29.353
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: 188
Temperature: 1.000000
Total energy: -358.661458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.661458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.661458 (E_RNA)
where:
Base-Base interactions energy: -243.784
where: short stacking energy: -96.599
Base-Backbone interact. energy: -0.521
local terms energy: -114.356981
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -27.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -384.315453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.315453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.315453 (E_RNA)
where:
Base-Base interactions energy: -262.001
where: short stacking energy: -97.938
Base-Backbone interact. energy: -0.244
local terms energy: -122.070156
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -325.459793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.459793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.459793 (E_RNA)
where:
Base-Base interactions energy: -221.945
where: short stacking energy: -99.966
Base-Backbone interact. energy: 0.307
local terms energy: -103.822406
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -316.255308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.255308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.255308 (E_RNA)
where:
Base-Base interactions energy: -213.134
where: short stacking energy: -83.714
Base-Backbone interact. energy: -0.195
local terms energy: -102.926318
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -23.555
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: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -295.621295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.621295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.621295 (E_RNA)
where:
Base-Base interactions energy: -187.637
where: short stacking energy: -90.985
Base-Backbone interact. energy: -0.119
local terms energy: -107.865452
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -215.078249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.078249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.078249 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -51.102
Base-Backbone interact. energy: -0.279
local terms energy: -84.198147
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -172.250277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.250277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.250277 (E_RNA)
where:
Base-Base interactions energy: -92.915
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.234
local terms energy: -79.100841
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -11.296
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: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -110.710028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.710028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.710028 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -38.436
Base-Backbone interact. energy: -0.149
local terms energy: -71.242376
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: 2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -420.259402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.259402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.259402 (E_RNA)
where:
Base-Base interactions energy: -298.589
where: short stacking energy: -119.371
Base-Backbone interact. energy: -0.027
local terms energy: -121.643771
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -35.335
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: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -368.220624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.220624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.220624 (E_RNA)
where:
Base-Base interactions energy: -257.459
where: short stacking energy: -101.225
Base-Backbone interact. energy: -0.295
local terms energy: -110.466093
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -28.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -363.849921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.849921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.849921 (E_RNA)
where:
Base-Base interactions energy: -261.578
where: short stacking energy: -107.976
Base-Backbone interact. energy: 2.813
local terms energy: -105.085097
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -380.182157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.182157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.182157 (E_RNA)
where:
Base-Base interactions energy: -272.131
where: short stacking energy: -98.075
Base-Backbone interact. energy: -0.616
local terms energy: -107.434437
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -27.880
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: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -337.598487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.598487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.598487 (E_RNA)
where:
Base-Base interactions energy: -227.144
where: short stacking energy: -96.632
Base-Backbone interact. energy: -0.663
local terms energy: -109.791194
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -25.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -295.239917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.239917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.239917 (E_RNA)
where:
Base-Base interactions energy: -194.665
where: short stacking energy: -81.992
Base-Backbone interact. energy: -0.847
local terms energy: -99.728053
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -287.133441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.133441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.133441 (E_RNA)
where:
Base-Base interactions energy: -184.023
where: short stacking energy: -75.935
Base-Backbone interact. energy: 0.546
local terms energy: -103.655979
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -22.272
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: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -236.402235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.402235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.402235 (E_RNA)
where:
Base-Base interactions energy: -145.527
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.827
local terms energy: -90.047795
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -157.212845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.212845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.212845 (E_RNA)
where:
Base-Base interactions energy: -92.876
where: short stacking energy: -52.971
Base-Backbone interact. energy: 2.191
local terms energy: -66.527077
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -7.768
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: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -125.280680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.280680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.280680 (E_RNA)
where:
Base-Base interactions energy: -43.534
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.112
local terms energy: -81.633928
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -426.643429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.643429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.643429 (E_RNA)
where:
Base-Base interactions energy: -300.893
where: short stacking energy: -114.151
Base-Backbone interact. energy: -0.905
local terms energy: -124.845935
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -38.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -375.203373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.203373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.203373 (E_RNA)
where:
Base-Base interactions energy: -257.574
where: short stacking energy: -105.712
Base-Backbone interact. energy: -0.498
local terms energy: -117.132003
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -388.162904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.162904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.162904 (E_RNA)
where:
Base-Base interactions energy: -278.024
where: short stacking energy: -107.676
Base-Backbone interact. energy: -0.758
local terms energy: -109.380385
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -27.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -357.868101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.868101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.868101 (E_RNA)
where:
Base-Base interactions energy: -253.183
where: short stacking energy: -94.250
Base-Backbone interact. energy: -0.410
local terms energy: -104.274283
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -26.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -337.809258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.809258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.809258 (E_RNA)
where:
Base-Base interactions energy: -230.757
where: short stacking energy: -104.245
Base-Backbone interact. energy: 0.575
local terms energy: -107.627282
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -31.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -289.794111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.794111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.794111 (E_RNA)
where:
Base-Base interactions energy: -202.030
where: short stacking energy: -75.660
Base-Backbone interact. energy: -0.694
local terms energy: -87.069662
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -14.025
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: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -244.578904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.578904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.578904 (E_RNA)
where:
Base-Base interactions energy: -151.124
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.624
local terms energy: -92.831235
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -264.146236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.146236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.146236 (E_RNA)
where:
Base-Base interactions energy: -164.278
where: short stacking energy: -69.261
Base-Backbone interact. energy: 0.457
local terms energy: -100.324965
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -109.712315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.712315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.712315 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -32.785
Base-Backbone interact. energy: -0.076
local terms energy: -76.850847
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -11.826
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: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -109.878219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.878219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.878219 (E_RNA)
where:
Base-Base interactions energy: -34.763
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.197
local terms energy: -74.919043
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -424.006469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.006469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.006469 (E_RNA)
where:
Base-Base interactions energy: -306.015
where: short stacking energy: -117.938
Base-Backbone interact. energy: 0.574
local terms energy: -118.564974
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -35.872
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: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -393.890081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.890081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.890081 (E_RNA)
where:
Base-Base interactions energy: -283.278
where: short stacking energy: -107.995
Base-Backbone interact. energy: -0.788
local terms energy: -109.824053
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -32.337
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: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -378.122532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.122532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.122532 (E_RNA)
where:
Base-Base interactions energy: -262.981
where: short stacking energy: -107.591
Base-Backbone interact. energy: -0.192
local terms energy: -114.949048
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -358.138309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.138309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.138309 (E_RNA)
where:
Base-Base interactions energy: -244.444
where: short stacking energy: -104.081
Base-Backbone interact. energy: -0.289
local terms energy: -113.405951
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -319.452696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.452696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.452696 (E_RNA)
where:
Base-Base interactions energy: -219.181
where: short stacking energy: -93.901
Base-Backbone interact. energy: -0.617
local terms energy: -99.654167
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -24.852
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: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -246.506097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.506097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.506097 (E_RNA)
where:
Base-Base interactions energy: -165.982
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.249
local terms energy: -80.274855
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -10.573
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: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -256.421323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.421323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.421323 (E_RNA)
where:
Base-Base interactions energy: -163.524
where: short stacking energy: -71.318
Base-Backbone interact. energy: -0.115
local terms energy: -92.782748
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -19.504
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: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -273.566475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.566475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.566475 (E_RNA)
where:
Base-Base interactions energy: -181.983
where: short stacking energy: -72.473
Base-Backbone interact. energy: -0.202
local terms energy: -91.381867
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -21.878
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: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -145.927967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.927967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.927967 (E_RNA)
where:
Base-Base interactions energy: -61.211
where: short stacking energy: -61.211
Base-Backbone interact. energy: -0.182
local terms energy: -84.535338
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -9.518
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: 10, replica: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -126.370712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.370712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.370712 (E_RNA)
where:
Base-Base interactions energy: -49.503
where: short stacking energy: -48.441
Base-Backbone interact. energy: -0.331
local terms energy: -76.535990
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -422.909123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.909123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.909123 (E_RNA)
where:
Base-Base interactions energy: -295.685
where: short stacking energy: -127.033
Base-Backbone interact. energy: -0.042
local terms energy: -127.182313
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -39.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -399.596498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.596498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.596498 (E_RNA)
where:
Base-Base interactions energy: -288.285
where: short stacking energy: -104.979
Base-Backbone interact. energy: 0.360
local terms energy: -111.671238
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -30.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -370.353492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.353492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.353492 (E_RNA)
where:
Base-Base interactions energy: -256.779
where: short stacking energy: -111.049
Base-Backbone interact. energy: -0.109
local terms energy: -113.465136
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -29.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -363.607153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.607153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.607153 (E_RNA)
where:
Base-Base interactions energy: -247.197
where: short stacking energy: -104.758
Base-Backbone interact. energy: -1.007
local terms energy: -115.403154
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -29.646
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: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -298.038121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.038121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.038121 (E_RNA)
where:
Base-Base interactions energy: -192.119
where: short stacking energy: -78.860
Base-Backbone interact. energy: -0.482
local terms energy: -105.436589
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -26.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -262.064277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.064277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.064277 (E_RNA)
where:
Base-Base interactions energy: -174.382
where: short stacking energy: -73.715
Base-Backbone interact. energy: -0.087
local terms energy: -87.595364
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -14.447
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: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -296.973637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.973637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.973637 (E_RNA)
where:
Base-Base interactions energy: -192.855
where: short stacking energy: -90.722
Base-Backbone interact. energy: 1.383
local terms energy: -105.500976
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -233.538845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.538845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.538845 (E_RNA)
where:
Base-Base interactions energy: -145.965
where: short stacking energy: -58.950
Base-Backbone interact. energy: 0.343
local terms energy: -87.916463
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -10.911
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: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -123.899528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.899528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.899528 (E_RNA)
where:
Base-Base interactions energy: -42.934
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.026
local terms energy: -80.939117
where:
bonds (distance) C4'-P energy: -26.058
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -11.400
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: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -111.717540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.717540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.717540 (E_RNA)
where:
Base-Base interactions energy: -43.142
where: short stacking energy: -33.982
Base-Backbone interact. energy: 0.168
local terms energy: -68.742962
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -416.003502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.003502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.003502 (E_RNA)
where:
Base-Base interactions energy: -286.160
where: short stacking energy: -118.188
Base-Backbone interact. energy: 0.671
local terms energy: -130.515007
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -37.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -400.396919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.396919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.396919 (E_RNA)
where:
Base-Base interactions energy: -289.879
where: short stacking energy: -110.769
Base-Backbone interact. energy: -0.599
local terms energy: -109.918216
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -31.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -362.946217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.946217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.946217 (E_RNA)
where:
Base-Base interactions energy: -256.658
where: short stacking energy: -107.780
Base-Backbone interact. energy: 0.273
local terms energy: -106.560725
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -27.015
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: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -351.606994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.606994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.606994 (E_RNA)
where:
Base-Base interactions energy: -243.446
where: short stacking energy: -100.066
Base-Backbone interact. energy: -0.448
local terms energy: -107.713612
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -26.384
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -295.043460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.043460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.043460 (E_RNA)
where:
Base-Base interactions energy: -197.552
where: short stacking energy: -89.498
Base-Backbone interact. energy: -0.043
local terms energy: -97.448323
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -16.081
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -311.968870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.968870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.968870 (E_RNA)
where:
Base-Base interactions energy: -199.131
where: short stacking energy: -84.529
Base-Backbone interact. energy: -0.476
local terms energy: -112.362251
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -285.769332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.769332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.769332 (E_RNA)
where:
Base-Base interactions energy: -182.692
where: short stacking energy: -77.577
Base-Backbone interact. energy: 1.036
local terms energy: -104.112963
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -234.056257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.056257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.056257 (E_RNA)
where:
Base-Base interactions energy: -149.949
where: short stacking energy: -72.491
Base-Backbone interact. energy: -0.169
local terms energy: -83.937690
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -132.006059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.006059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.006059 (E_RNA)
where:
Base-Base interactions energy: -54.380
where: short stacking energy: -42.072
Base-Backbone interact. energy: -0.455
local terms energy: -77.171071
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -117.941709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.941709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.941709 (E_RNA)
where:
Base-Base interactions energy: -45.471
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.334
local terms energy: -72.136741
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -421.008973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.008973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.008973 (E_RNA)
where:
Base-Base interactions energy: -297.550
where: short stacking energy: -127.323
Base-Backbone interact. energy: -0.163
local terms energy: -123.296284
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -39.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -395.638936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.638936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.638936 (E_RNA)
where:
Base-Base interactions energy: -277.227
where: short stacking energy: -105.573
Base-Backbone interact. energy: -0.510
local terms energy: -117.901866
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -31.402
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -368.548754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.548754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.548754 (E_RNA)
where:
Base-Base interactions energy: -253.646
where: short stacking energy: -92.968
Base-Backbone interact. energy: 0.208
local terms energy: -115.110377
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -22.581
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: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -359.621398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.621398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.621398 (E_RNA)
where:
Base-Base interactions energy: -250.185
where: short stacking energy: -102.994
Base-Backbone interact. energy: -1.986
local terms energy: -107.449780
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -25.636
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: 194
Temperature: 1.100000
Total energy: -315.500228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.500228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.500228 (E_RNA)
where:
Base-Base interactions energy: -210.602
where: short stacking energy: -88.717
Base-Backbone interact. energy: -0.294
local terms energy: -104.603634
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -25.642
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: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -292.048768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.048768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.048768 (E_RNA)
where:
Base-Base interactions energy: -184.859
where: short stacking energy: -87.241
Base-Backbone interact. energy: -0.353
local terms energy: -106.836008
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -16.864
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -296.177353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.177353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.177353 (E_RNA)
where:
Base-Base interactions energy: -205.000
where: short stacking energy: -88.581
Base-Backbone interact. energy: 0.593
local terms energy: -91.769852
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -243.257409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.257409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.257409 (E_RNA)
where:
Base-Base interactions energy: -156.037
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.022
local terms energy: -87.198068
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -122.926203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.926203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.926203 (E_RNA)
where:
Base-Base interactions energy: -57.968
where: short stacking energy: -49.218
Base-Backbone interact. energy: -1.080
local terms energy: -63.877912
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -111.836171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.836171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.836171 (E_RNA)
where:
Base-Base interactions energy: -48.640
where: short stacking energy: -35.235
Base-Backbone interact. energy: 2.607
local terms energy: -65.803023
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.696
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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -421.473436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.473436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.473436 (E_RNA)
where:
Base-Base interactions energy: -300.997
where: short stacking energy: -123.834
Base-Backbone interact. energy: -0.243
local terms energy: -120.233474
where:
bonds (distance) C4'-P energy: -24.142
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -35.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -386.393530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.393530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.393530 (E_RNA)
where:
Base-Base interactions energy: -277.428
where: short stacking energy: -108.200
Base-Backbone interact. energy: -0.696
local terms energy: -108.269678
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -27.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -367.147388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.147388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.147388 (E_RNA)
where:
Base-Base interactions energy: -260.349
where: short stacking energy: -101.271
Base-Backbone interact. energy: 0.645
local terms energy: -107.443268
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -319.841705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.841705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.841705 (E_RNA)
where:
Base-Base interactions energy: -219.762
where: short stacking energy: -96.629
Base-Backbone interact. energy: -0.424
local terms energy: -99.656111
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -29.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -349.710611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.710611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.710611 (E_RNA)
where:
Base-Base interactions energy: -241.908
where: short stacking energy: -106.861
Base-Backbone interact. energy: -0.107
local terms energy: -107.695140
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -30.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -281.481587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.481587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.481587 (E_RNA)
where:
Base-Base interactions energy: -188.485
where: short stacking energy: -79.566
Base-Backbone interact. energy: -0.146
local terms energy: -92.850879
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -11.397
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: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -279.142577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.142577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.142577 (E_RNA)
where:
Base-Base interactions energy: -183.551
where: short stacking energy: -76.361
Base-Backbone interact. energy: -0.264
local terms energy: -95.327807
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -251.744555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.744555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.744555 (E_RNA)
where:
Base-Base interactions energy: -172.292
where: short stacking energy: -69.359
Base-Backbone interact. energy: -0.559
local terms energy: -78.893607
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -124.542563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.542563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.542563 (E_RNA)
where:
Base-Base interactions energy: -39.443
where: short stacking energy: -39.472
Base-Backbone interact. energy: -0.467
local terms energy: -84.632620
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -117.477616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.477616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.477616 (E_RNA)
where:
Base-Base interactions energy: -49.491
where: short stacking energy: -23.175
Base-Backbone interact. energy: 0.950
local terms energy: -68.936392
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: 3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -405.462437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.462437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.462437 (E_RNA)
where:
Base-Base interactions energy: -284.210
where: short stacking energy: -112.498
Base-Backbone interact. energy: 0.433
local terms energy: -121.685896
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -27.068
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -417.539651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.539651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.539651 (E_RNA)
where:
Base-Base interactions energy: -291.529
where: short stacking energy: -115.760
Base-Backbone interact. energy: -0.798
local terms energy: -125.212181
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -38.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -331.101681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.101681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.101681 (E_RNA)
where:
Base-Base interactions energy: -224.370
where: short stacking energy: -91.470
Base-Backbone interact. energy: -0.407
local terms energy: -106.324220
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -14.737
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: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -358.528247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.528247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.528247 (E_RNA)
where:
Base-Base interactions energy: -247.932
where: short stacking energy: -99.830
Base-Backbone interact. energy: -0.706
local terms energy: -109.889822
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -27.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -352.822231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.822231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.822231 (E_RNA)
where:
Base-Base interactions energy: -242.025
where: short stacking energy: -93.717
Base-Backbone interact. energy: -0.683
local terms energy: -110.114380
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -27.244
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: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -298.593412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.593412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.593412 (E_RNA)
where:
Base-Base interactions energy: -205.403
where: short stacking energy: -86.569
Base-Backbone interact. energy: -0.401
local terms energy: -92.790089
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -23.443
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: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -277.046051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.046051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.046051 (E_RNA)
where:
Base-Base interactions energy: -185.142
where: short stacking energy: -81.866
Base-Backbone interact. energy: -0.843
local terms energy: -91.061333
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -262.542769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.542769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.542769 (E_RNA)
where:
Base-Base interactions energy: -175.865
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.270
local terms energy: -86.408078
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -6.499
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: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -127.051605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.051605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.051605 (E_RNA)
where:
Base-Base interactions energy: -51.325
where: short stacking energy: -46.047
Base-Backbone interact. energy: 0.018
local terms energy: -75.743962
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -112.017256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.017256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.017256 (E_RNA)
where:
Base-Base interactions energy: -44.936
where: short stacking energy: -36.397
Base-Backbone interact. energy: -0.182
local terms energy: -66.899506
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -395.344788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.344788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.344788 (E_RNA)
where:
Base-Base interactions energy: -281.232
where: short stacking energy: -104.048
Base-Backbone interact. energy: -0.942
local terms energy: -113.171347
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -29.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -416.218246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.218246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.218246 (E_RNA)
where:
Base-Base interactions energy: -297.075
where: short stacking energy: -117.402
Base-Backbone interact. energy: -0.002
local terms energy: -119.141658
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -33.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -323.883982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.883982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.883982 (E_RNA)
where:
Base-Base interactions energy: -219.797
where: short stacking energy: -92.924
Base-Backbone interact. energy: -0.269
local terms energy: -103.817374
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -26.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -334.660992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.660992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.660992 (E_RNA)
where:
Base-Base interactions energy: -224.200
where: short stacking energy: -92.114
Base-Backbone interact. energy: -0.441
local terms energy: -110.020202
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -345.020028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.020028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.020028 (E_RNA)
where:
Base-Base interactions energy: -245.589
where: short stacking energy: -99.106
Base-Backbone interact. energy: -0.592
local terms energy: -98.838797
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -24.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -303.159553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.159553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.159553 (E_RNA)
where:
Base-Base interactions energy: -201.305
where: short stacking energy: -87.966
Base-Backbone interact. energy: -0.167
local terms energy: -101.686840
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -22.003
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: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -277.217760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.217760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.217760 (E_RNA)
where:
Base-Base interactions energy: -187.045
where: short stacking energy: -85.758
Base-Backbone interact. energy: 0.377
local terms energy: -90.549890
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -18.491
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: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -272.143154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.143154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.143154 (E_RNA)
where:
Base-Base interactions energy: -176.385
where: short stacking energy: -77.420
Base-Backbone interact. energy: -0.263
local terms energy: -95.495325
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -124.999057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.999057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.999057 (E_RNA)
where:
Base-Base interactions energy: -49.421
where: short stacking energy: -49.421
Base-Backbone interact. energy: -0.216
local terms energy: -75.361834
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -2.115
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: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -114.920988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.920988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.920988 (E_RNA)
where:
Base-Base interactions energy: -33.726
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.531
local terms energy: -80.663304
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: 0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -419.882995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.882995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.882995 (E_RNA)
where:
Base-Base interactions energy: -293.461
where: short stacking energy: -119.113
Base-Backbone interact. energy: -0.016
local terms energy: -126.405369
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -36.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -386.927233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.927233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.927233 (E_RNA)
where:
Base-Base interactions energy: -267.388
where: short stacking energy: -105.212
Base-Backbone interact. energy: -0.530
local terms energy: -119.008959
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -26.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -346.069436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.069436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.069436 (E_RNA)
where:
Base-Base interactions energy: -233.130
where: short stacking energy: -93.342
Base-Backbone interact. energy: 0.533
local terms energy: -113.472911
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -23.660
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: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -320.930135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.930135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.930135 (E_RNA)
where:
Base-Base interactions energy: -210.360
where: short stacking energy: -99.474
Base-Backbone interact. energy: -0.677
local terms energy: -109.893216
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -30.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -339.741060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.741060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.741060 (E_RNA)
where:
Base-Base interactions energy: -232.625
where: short stacking energy: -91.023
Base-Backbone interact. energy: -0.851
local terms energy: -106.265052
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -308.542247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.542247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.542247 (E_RNA)
where:
Base-Base interactions energy: -200.723
where: short stacking energy: -96.174
Base-Backbone interact. energy: -0.089
local terms energy: -107.730376
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -281.367518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.367518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.367518 (E_RNA)
where:
Base-Base interactions energy: -195.884
where: short stacking energy: -87.149
Base-Backbone interact. energy: -0.087
local terms energy: -85.396076
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -236.429312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.429312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.429312 (E_RNA)
where:
Base-Base interactions energy: -164.666
where: short stacking energy: -68.582
Base-Backbone interact. energy: -1.461
local terms energy: -70.302926
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -139.060745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.060745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.060745 (E_RNA)
where:
Base-Base interactions energy: -57.843
where: short stacking energy: -45.536
Base-Backbone interact. energy: -0.080
local terms energy: -81.137696
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -125.945104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.945104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.945104 (E_RNA)
where:
Base-Base interactions energy: -48.789
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.193
local terms energy: -76.962972
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -410.198987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.198987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.198987 (E_RNA)
where:
Base-Base interactions energy: -294.083
where: short stacking energy: -116.834
Base-Backbone interact. energy: -0.024
local terms energy: -116.092420
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -36.517
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: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -369.822640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.822640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.822640 (E_RNA)
where:
Base-Base interactions energy: -266.464
where: short stacking energy: -107.226
Base-Backbone interact. energy: 0.058
local terms energy: -103.416142
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -26.438
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: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -360.908907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.908907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.908907 (E_RNA)
where:
Base-Base interactions energy: -252.957
where: short stacking energy: -102.685
Base-Backbone interact. energy: -0.322
local terms energy: -107.630452
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -25.501
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: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -370.702953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.702953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.702953 (E_RNA)
where:
Base-Base interactions energy: -257.182
where: short stacking energy: -109.585
Base-Backbone interact. energy: 0.213
local terms energy: -113.733914
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -27.764
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: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -319.572388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.572388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.572388 (E_RNA)
where:
Base-Base interactions energy: -213.083
where: short stacking energy: -96.174
Base-Backbone interact. energy: -0.596
local terms energy: -105.894115
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -22.721
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: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -292.345950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.345950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.345950 (E_RNA)
where:
Base-Base interactions energy: -204.613
where: short stacking energy: -90.119
Base-Backbone interact. energy: 0.519
local terms energy: -88.252022
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -315.903756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.903756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.903756 (E_RNA)
where:
Base-Base interactions energy: -214.169
where: short stacking energy: -96.786
Base-Backbone interact. energy: -0.245
local terms energy: -101.490015
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -23.446
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: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -286.610970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.610970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.610970 (E_RNA)
where:
Base-Base interactions energy: -193.718
where: short stacking energy: -77.240
Base-Backbone interact. energy: 0.251
local terms energy: -93.143446
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -136.681729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.681729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.681729 (E_RNA)
where:
Base-Base interactions energy: -58.481
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.304
local terms energy: -77.896759
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -13.210
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: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -116.168718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.168718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.168718 (E_RNA)
where:
Base-Base interactions energy: -48.676
where: short stacking energy: -48.676
Base-Backbone interact. energy: 0.124
local terms energy: -67.616745
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -10.808
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: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -425.562217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.562217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.562217 (E_RNA)
where:
Base-Base interactions energy: -301.268
where: short stacking energy: -116.553
Base-Backbone interact. energy: -0.586
local terms energy: -123.708776
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -35.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -383.509919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.509919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.509919 (E_RNA)
where:
Base-Base interactions energy: -271.614
where: short stacking energy: -112.931
Base-Backbone interact. energy: 1.066
local terms energy: -112.962216
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -27.948
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: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -369.852491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.852491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.852491 (E_RNA)
where:
Base-Base interactions energy: -262.645
where: short stacking energy: -101.160
Base-Backbone interact. energy: 1.613
local terms energy: -108.820366
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -28.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -346.204499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.204499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.204499 (E_RNA)
where:
Base-Base interactions energy: -244.348
where: short stacking energy: -102.691
Base-Backbone interact. energy: -0.081
local terms energy: -101.775084
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -27.529
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: 200
Temperature: 1.100000
Total energy: -312.612484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.612484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.612484 (E_RNA)
where:
Base-Base interactions energy: -202.072
where: short stacking energy: -82.666
Base-Backbone interact. energy: -0.215
local terms energy: -110.325857
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -21.892
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: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -301.503522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.503522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.503522 (E_RNA)
where:
Base-Base interactions energy: -204.079
where: short stacking energy: -92.782
Base-Backbone interact. energy: -0.035
local terms energy: -97.389732
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -300.481653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.481653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.481653 (E_RNA)
where:
Base-Base interactions energy: -200.611
where: short stacking energy: -85.021
Base-Backbone interact. energy: -1.162
local terms energy: -98.708165
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -21.653
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: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -215.826409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.826409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.826409 (E_RNA)
where:
Base-Base interactions energy: -130.505
where: short stacking energy: -73.276
Base-Backbone interact. energy: -0.589
local terms energy: -84.732958
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -125.423703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.423703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.423703 (E_RNA)
where:
Base-Base interactions energy: -59.604
where: short stacking energy: -39.985
Base-Backbone interact. energy: -0.308
local terms energy: -65.512517
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -9.977
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: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -114.693069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.693069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.693069 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -47.330
Base-Backbone interact. energy: -0.369
local terms energy: -66.287021
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -8.747
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: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -413.031982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.031982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.031982 (E_RNA)
where:
Base-Base interactions energy: -288.578
where: short stacking energy: -115.404
Base-Backbone interact. energy: -0.005
local terms energy: -124.448883
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -32.269
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -367.895171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.895171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.895171 (E_RNA)
where:
Base-Base interactions energy: -258.579
where: short stacking energy: -99.330
Base-Backbone interact. energy: -0.123
local terms energy: -109.192779
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -25.748
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: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -373.896826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.896826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.896826 (E_RNA)
where:
Base-Base interactions energy: -267.699
where: short stacking energy: -103.720
Base-Backbone interact. energy: 0.829
local terms energy: -107.027174
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -25.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -344.819148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.819148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.819148 (E_RNA)
where:
Base-Base interactions energy: -233.122
where: short stacking energy: -92.787
Base-Backbone interact. energy: -1.140
local terms energy: -110.557304
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -314.422531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.422531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.422531 (E_RNA)
where:
Base-Base interactions energy: -204.833
where: short stacking energy: -88.527
Base-Backbone interact. energy: -0.463
local terms energy: -109.127286
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -24.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -298.186878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.186878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.186878 (E_RNA)
where:
Base-Base interactions energy: -197.263
where: short stacking energy: -79.302
Base-Backbone interact. energy: -0.088
local terms energy: -100.835778
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -273.850187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.850187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.850187 (E_RNA)
where:
Base-Base interactions energy: -180.260
where: short stacking energy: -77.356
Base-Backbone interact. energy: -0.514
local terms energy: -93.076336
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -18.527
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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -209.287824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.287824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.287824 (E_RNA)
where:
Base-Base interactions energy: -132.674
where: short stacking energy: -53.420
Base-Backbone interact. energy: 1.007
local terms energy: -77.620865
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -125.813006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.813006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.813006 (E_RNA)
where:
Base-Base interactions energy: -42.218
where: short stacking energy: -36.726
Base-Backbone interact. energy: -0.605
local terms energy: -82.989038
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -2.044
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: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -137.251654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.251654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.251654 (E_RNA)
where:
Base-Base interactions energy: -80.702
where: short stacking energy: -36.403
Base-Backbone interact. energy: -0.123
local terms energy: -56.426845
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -6.302
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: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -421.982566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.982566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.982566 (E_RNA)
where:
Base-Base interactions energy: -297.018
where: short stacking energy: -114.475
Base-Backbone interact. energy: -0.591
local terms energy: -124.373061
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -34.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -364.415113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.415113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.415113 (E_RNA)
where:
Base-Base interactions energy: -253.806
where: short stacking energy: -96.088
Base-Backbone interact. energy: 1.312
local terms energy: -111.920870
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -379.420242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.420242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.420242 (E_RNA)
where:
Base-Base interactions energy: -254.938
where: short stacking energy: -105.379
Base-Backbone interact. energy: 1.148
local terms energy: -125.630215
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -351.746266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.746266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.746266 (E_RNA)
where:
Base-Base interactions energy: -245.907
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.514
local terms energy: -105.325459
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -28.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -316.706156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.706156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.706156 (E_RNA)
where:
Base-Base interactions energy: -214.560
where: short stacking energy: -98.114
Base-Backbone interact. energy: -1.235
local terms energy: -100.911594
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -296.675289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.675289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.675289 (E_RNA)
where:
Base-Base interactions energy: -198.841
where: short stacking energy: -85.652
Base-Backbone interact. energy: -0.276
local terms energy: -97.558128
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -277.834026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.834026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.834026 (E_RNA)
where:
Base-Base interactions energy: -190.582
where: short stacking energy: -78.427
Base-Backbone interact. energy: -0.569
local terms energy: -86.683457
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -23.028
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: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -239.799141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.799141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.799141 (E_RNA)
where:
Base-Base interactions energy: -136.690
where: short stacking energy: -73.823
Base-Backbone interact. energy: 0.895
local terms energy: -104.003598
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -16.703
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: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -177.611545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.611545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.611545 (E_RNA)
where:
Base-Base interactions energy: -97.324
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.187
local terms energy: -80.099924
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -113.738607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.738607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.738607 (E_RNA)
where:
Base-Base interactions energy: -40.289
where: short stacking energy: -38.425
Base-Backbone interact. energy: -0.258
local terms energy: -73.192423
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -413.772944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.772944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.772944 (E_RNA)
where:
Base-Base interactions energy: -297.560
where: short stacking energy: -120.847
Base-Backbone interact. energy: -0.012
local terms energy: -116.200275
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -38.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -382.548784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.548784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.548784 (E_RNA)
where:
Base-Base interactions energy: -268.928
where: short stacking energy: -110.013
Base-Backbone interact. energy: -0.577
local terms energy: -113.044369
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -375.318052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.318052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.318052 (E_RNA)
where:
Base-Base interactions energy: -260.902
where: short stacking energy: -107.533
Base-Backbone interact. energy: 1.270
local terms energy: -115.685464
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -349.235601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.235601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.235601 (E_RNA)
where:
Base-Base interactions energy: -239.470
where: short stacking energy: -107.538
Base-Backbone interact. energy: -0.087
local terms energy: -109.678898
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -28.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -299.395491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.395491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.395491 (E_RNA)
where:
Base-Base interactions energy: -202.716
where: short stacking energy: -87.835
Base-Backbone interact. energy: -0.082
local terms energy: -96.597055
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -307.376753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.376753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.376753 (E_RNA)
where:
Base-Base interactions energy: -202.646
where: short stacking energy: -92.198
Base-Backbone interact. energy: 3.348
local terms energy: -108.078766
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -276.458994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.458994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.458994 (E_RNA)
where:
Base-Base interactions energy: -175.688
where: short stacking energy: -87.252
Base-Backbone interact. energy: -0.759
local terms energy: -100.012834
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -142.139312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.139312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.139312 (E_RNA)
where:
Base-Base interactions energy: -72.981
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.242
local terms energy: -68.915523
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -218.081952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.081952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.081952 (E_RNA)
where:
Base-Base interactions energy: -134.685
where: short stacking energy: -67.919
Base-Backbone interact. energy: -0.258
local terms energy: -83.139069
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -13.795
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: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -121.671193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.671193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.671193 (E_RNA)
where:
Base-Base interactions energy: -53.778
where: short stacking energy: -33.747
Base-Backbone interact. energy: 0.576
local terms energy: -68.469368
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -11.864
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: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -419.141541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.141541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.141541 (E_RNA)
where:
Base-Base interactions energy: -295.542
where: short stacking energy: -118.329
Base-Backbone interact. energy: -0.240
local terms energy: -123.358927
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -37.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -376.696115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.696115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.696115 (E_RNA)
where:
Base-Base interactions energy: -264.168
where: short stacking energy: -110.844
Base-Backbone interact. energy: -1.070
local terms energy: -111.458014
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -364.931589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.931589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.931589 (E_RNA)
where:
Base-Base interactions energy: -251.198
where: short stacking energy: -101.270
Base-Backbone interact. energy: -0.083
local terms energy: -113.650707
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -359.241243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.241243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.241243 (E_RNA)
where:
Base-Base interactions energy: -257.055
where: short stacking energy: -96.416
Base-Backbone interact. energy: -1.056
local terms energy: -101.131158
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -26.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -324.374273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.374273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.374273 (E_RNA)
where:
Base-Base interactions energy: -217.277
where: short stacking energy: -84.765
Base-Backbone interact. energy: -1.417
local terms energy: -105.680919
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -294.253550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.253550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.253550 (E_RNA)
where:
Base-Base interactions energy: -202.508
where: short stacking energy: -83.261
Base-Backbone interact. energy: 0.461
local terms energy: -92.206807
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -16.001
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: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -289.568591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.568591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.568591 (E_RNA)
where:
Base-Base interactions energy: -193.649
where: short stacking energy: -99.824
Base-Backbone interact. energy: -0.161
local terms energy: -95.758589
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -131.792705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.792705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.792705 (E_RNA)
where:
Base-Base interactions energy: -53.382
where: short stacking energy: -49.509
Base-Backbone interact. energy: 0.244
local terms energy: -78.654108
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -229.183232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.183232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.183232 (E_RNA)
where:
Base-Base interactions energy: -140.076
where: short stacking energy: -62.599
Base-Backbone interact. energy: -0.993
local terms energy: -88.114373
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -120.585192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.585192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.585192 (E_RNA)
where:
Base-Base interactions energy: -44.978
where: short stacking energy: -34.489
Base-Backbone interact. energy: -0.076
local terms energy: -75.530967
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -16.989
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: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -407.685612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.685612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.685612 (E_RNA)
where:
Base-Base interactions energy: -278.358
where: short stacking energy: -117.430
Base-Backbone interact. energy: -0.449
local terms energy: -128.878581
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -371.746021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.746021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.746021 (E_RNA)
where:
Base-Base interactions energy: -258.310
where: short stacking energy: -106.896
Base-Backbone interact. energy: -0.032
local terms energy: -113.404353
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -32.783
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: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -383.000418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.000418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.000418 (E_RNA)
where:
Base-Base interactions energy: -265.673
where: short stacking energy: -104.288
Base-Backbone interact. energy: 0.261
local terms energy: -117.588344
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -25.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -323.820133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.820133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.820133 (E_RNA)
where:
Base-Base interactions energy: -225.148
where: short stacking energy: -83.559
Base-Backbone interact. energy: -0.399
local terms energy: -98.273095
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -22.904
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: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -356.544529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.544529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.544529 (E_RNA)
where:
Base-Base interactions energy: -247.685
where: short stacking energy: -105.624
Base-Backbone interact. energy: -0.917
local terms energy: -107.942598
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -27.064
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: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -303.594372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.594372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.594372 (E_RNA)
where:
Base-Base interactions energy: -211.514
where: short stacking energy: -96.566
Base-Backbone interact. energy: -0.108
local terms energy: -91.972237
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -23.886
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: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -290.990075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.990075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.990075 (E_RNA)
where:
Base-Base interactions energy: -192.319
where: short stacking energy: -89.025
Base-Backbone interact. energy: -0.065
local terms energy: -98.606343
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -201.002981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.002981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.002981 (E_RNA)
where:
Base-Base interactions energy: -119.975
where: short stacking energy: -71.650
Base-Backbone interact. energy: 4.423
local terms energy: -85.450745
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -114.914951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.914951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.914951 (E_RNA)
where:
Base-Base interactions energy: -47.239
where: short stacking energy: -48.139
Base-Backbone interact. energy: 1.046
local terms energy: -68.722217
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -114.467647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.467647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.467647 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -42.637
Base-Backbone interact. energy: 0.773
local terms energy: -70.538053
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -380.303979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.303979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.303979 (E_RNA)
where:
Base-Base interactions energy: -255.456
where: short stacking energy: -115.436
Base-Backbone interact. energy: -0.382
local terms energy: -124.466189
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -32.938
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: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -411.003397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.003397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.003397 (E_RNA)
where:
Base-Base interactions energy: -294.819
where: short stacking energy: -123.359
Base-Backbone interact. energy: -0.003
local terms energy: -116.181441
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -36.467
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: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -382.047773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.047773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.047773 (E_RNA)
where:
Base-Base interactions energy: -264.994
where: short stacking energy: -108.265
Base-Backbone interact. energy: -0.914
local terms energy: -116.140339
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -27.545
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -26.044
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: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -333.008358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.008358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.008358 (E_RNA)
where:
Base-Base interactions energy: -222.949
where: short stacking energy: -94.567
Base-Backbone interact. energy: 0.834
local terms energy: -110.893174
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -354.543595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.543595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.543595 (E_RNA)
where:
Base-Base interactions energy: -239.967
where: short stacking energy: -98.793
Base-Backbone interact. energy: -0.196
local terms energy: -114.380125
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -25.420
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: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -306.194317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.194317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.194317 (E_RNA)
where:
Base-Base interactions energy: -195.623
where: short stacking energy: -92.328
Base-Backbone interact. energy: -0.383
local terms energy: -110.188054
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -238.131196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.131196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.131196 (E_RNA)
where:
Base-Base interactions energy: -146.810
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.155
local terms energy: -91.166762
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -14.775
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: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -281.204797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.204797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.204797 (E_RNA)
where:
Base-Base interactions energy: -189.683
where: short stacking energy: -90.154
Base-Backbone interact. energy: -0.186
local terms energy: -91.335701
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -125.010896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.010896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.010896 (E_RNA)
where:
Base-Base interactions energy: -54.783
where: short stacking energy: -53.575
Base-Backbone interact. energy: -0.127
local terms energy: -70.101596
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -110.003068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.003068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.003068 (E_RNA)
where:
Base-Base interactions energy: -41.460
where: short stacking energy: -35.891
Base-Backbone interact. energy: -0.398
local terms energy: -68.145093
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -382.030943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.030943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.030943 (E_RNA)
where:
Base-Base interactions energy: -258.208
where: short stacking energy: -118.786
Base-Backbone interact. energy: -0.108
local terms energy: -123.715090
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -29.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -411.507343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.507343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.507343 (E_RNA)
where:
Base-Base interactions energy: -290.282
where: short stacking energy: -107.340
Base-Backbone interact. energy: -0.487
local terms energy: -120.738421
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -34.037
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: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -383.545358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.545358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.545358 (E_RNA)
where:
Base-Base interactions energy: -267.707
where: short stacking energy: -105.843
Base-Backbone interact. energy: 1.772
local terms energy: -117.610379
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -30.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -358.529903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.529903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.529903 (E_RNA)
where:
Base-Base interactions energy: -247.405
where: short stacking energy: -100.079
Base-Backbone interact. energy: 1.782
local terms energy: -112.907749
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -349.893454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.893454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.893454 (E_RNA)
where:
Base-Base interactions energy: -240.640
where: short stacking energy: -101.281
Base-Backbone interact. energy: 1.059
local terms energy: -110.312924
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -28.799
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -27.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -307.663483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.663483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.663483 (E_RNA)
where:
Base-Base interactions energy: -203.290
where: short stacking energy: -86.897
Base-Backbone interact. energy: 0.895
local terms energy: -105.268429
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -25.358
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: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -231.113072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.113072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.113072 (E_RNA)
where:
Base-Base interactions energy: -138.395
where: short stacking energy: -67.472
Base-Backbone interact. energy: 0.159
local terms energy: -92.877362
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -262.774440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.774440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.774440 (E_RNA)
where:
Base-Base interactions energy: -166.179
where: short stacking energy: -76.704
Base-Backbone interact. energy: -0.195
local terms energy: -96.400675
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -11.596
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: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -138.950606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.950606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.950606 (E_RNA)
where:
Base-Base interactions energy: -54.396
where: short stacking energy: -52.699
Base-Backbone interact. energy: -0.278
local terms energy: -84.276815
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -112.987166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.987166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.987166 (E_RNA)
where:
Base-Base interactions energy: -46.911
where: short stacking energy: -45.593
Base-Backbone interact. energy: -0.216
local terms energy: -65.859693
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -422.204984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.204984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.204984 (E_RNA)
where:
Base-Base interactions energy: -294.172
where: short stacking energy: -118.289
Base-Backbone interact. energy: -0.030
local terms energy: -128.003382
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -38.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -362.419784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.419784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.419784 (E_RNA)
where:
Base-Base interactions energy: -243.598
where: short stacking energy: -105.350
Base-Backbone interact. energy: -1.423
local terms energy: -117.398740
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -31.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -373.528867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.528867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.528867 (E_RNA)
where:
Base-Base interactions energy: -261.794
where: short stacking energy: -109.908
Base-Backbone interact. energy: -0.194
local terms energy: -111.540915
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -370.657822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.657822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.657822 (E_RNA)
where:
Base-Base interactions energy: -250.408
where: short stacking energy: -99.937
Base-Backbone interact. energy: -1.250
local terms energy: -118.999766
where:
bonds (distance) C4'-P energy: -26.116
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: -27.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -343.036458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.036458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.036458 (E_RNA)
where:
Base-Base interactions energy: -236.758
where: short stacking energy: -99.853
Base-Backbone interact. energy: -0.763
local terms energy: -105.515528
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -27.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -285.178734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.178734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.178734 (E_RNA)
where:
Base-Base interactions energy: -179.264
where: short stacking energy: -84.641
Base-Backbone interact. energy: 0.330
local terms energy: -106.244932
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -260.600697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.600697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.600697 (E_RNA)
where:
Base-Base interactions energy: -162.534
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.235
local terms energy: -97.831770
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -224.759724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.759724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.759724 (E_RNA)
where:
Base-Base interactions energy: -132.408
where: short stacking energy: -59.662
Base-Backbone interact. energy: -0.559
local terms energy: -91.792702
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -17.225
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: 208
Temperature: 1.300000
Total energy: -120.438246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.438246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.438246 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.297
local terms energy: -80.928952
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -135.642391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.642391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.642391 (E_RNA)
where:
Base-Base interactions energy: -76.665
where: short stacking energy: -39.315
Base-Backbone interact. energy: 1.340
local terms energy: -60.317558
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -415.509057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.509057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.509057 (E_RNA)
where:
Base-Base interactions energy: -301.358
where: short stacking energy: -126.810
Base-Backbone interact. energy: 0.106
local terms energy: -114.257829
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -36.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -401.562429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.562429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.562429 (E_RNA)
where:
Base-Base interactions energy: -282.098
where: short stacking energy: -110.072
Base-Backbone interact. energy: -0.698
local terms energy: -118.766905
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -29.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -361.920246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.920246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.920246 (E_RNA)
where:
Base-Base interactions energy: -240.453
where: short stacking energy: -110.569
Base-Backbone interact. energy: 0.860
local terms energy: -122.327040
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -30.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -363.121054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.121054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.121054 (E_RNA)
where:
Base-Base interactions energy: -253.731
where: short stacking energy: -103.588
Base-Backbone interact. energy: -0.075
local terms energy: -109.314509
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -32.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -326.871130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.871130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.871130 (E_RNA)
where:
Base-Base interactions energy: -217.794
where: short stacking energy: -96.763
Base-Backbone interact. energy: -0.167
local terms energy: -108.910026
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -26.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -299.041858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.041858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.041858 (E_RNA)
where:
Base-Base interactions energy: -203.467
where: short stacking energy: -84.499
Base-Backbone interact. energy: -0.015
local terms energy: -95.559134
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -20.740
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: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -283.680666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.680666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.680666 (E_RNA)
where:
Base-Base interactions energy: -182.507
where: short stacking energy: -100.546
Base-Backbone interact. energy: 0.238
local terms energy: -101.412004
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -216.459824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.459824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.459824 (E_RNA)
where:
Base-Base interactions energy: -130.611
where: short stacking energy: -70.726
Base-Backbone interact. energy: 0.101
local terms energy: -85.949405
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -8.194
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: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -125.589061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.589061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.589061 (E_RNA)
where:
Base-Base interactions energy: -55.901
where: short stacking energy: -50.812
Base-Backbone interact. energy: -0.608
local terms energy: -69.079903
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -17.110
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: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -110.157748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.157748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.157748 (E_RNA)
where:
Base-Base interactions energy: -47.034
where: short stacking energy: -26.690
Base-Backbone interact. energy: -0.322
local terms energy: -62.802366
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: 1.772
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: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -417.663426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.663426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.663426 (E_RNA)
where:
Base-Base interactions energy: -292.400
where: short stacking energy: -127.303
Base-Backbone interact. energy: -0.094
local terms energy: -125.168980
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -38.774
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: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -389.275420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.275420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.275420 (E_RNA)
where:
Base-Base interactions energy: -277.055
where: short stacking energy: -111.311
Base-Backbone interact. energy: 0.805
local terms energy: -113.025421
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -26.440
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: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -372.422511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.422511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.422511 (E_RNA)
where:
Base-Base interactions energy: -257.195
where: short stacking energy: -108.012
Base-Backbone interact. energy: 0.300
local terms energy: -115.527641
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -29.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -345.612235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.612235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.612235 (E_RNA)
where:
Base-Base interactions energy: -239.377
where: short stacking energy: -100.167
Base-Backbone interact. energy: -0.151
local terms energy: -106.083708
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -28.392
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: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -314.383628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.383628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.383628 (E_RNA)
where:
Base-Base interactions energy: -214.689
where: short stacking energy: -94.647
Base-Backbone interact. energy: 1.168
local terms energy: -100.863077
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -25.630
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: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -308.677729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.677729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.677729 (E_RNA)
where:
Base-Base interactions energy: -207.647
where: short stacking energy: -85.947
Base-Backbone interact. energy: -1.312
local terms energy: -99.719012
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -13.706
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: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -280.768604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.768604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.768604 (E_RNA)
where:
Base-Base interactions energy: -185.285
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.603
local terms energy: -94.880923
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -0.764
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -238.477318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.477318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.477318 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -72.683
Base-Backbone interact. energy: -0.178
local terms energy: -94.882825
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -8.875
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: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -120.162495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.162495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.162495 (E_RNA)
where:
Base-Base interactions energy: -51.652
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.152
local terms energy: -68.358646
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -7.101
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: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -120.817408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.817408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.817408 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -38.425
Base-Backbone interact. energy: -0.210
local terms energy: -76.582894
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -409.347999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.347999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.347999 (E_RNA)
where:
Base-Base interactions energy: -285.201
where: short stacking energy: -110.725
Base-Backbone interact. energy: -0.003
local terms energy: -124.143938
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -26.705
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -36.151
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: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -389.314196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.314196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.314196 (E_RNA)
where:
Base-Base interactions energy: -276.021
where: short stacking energy: -107.239
Base-Backbone interact. energy: 0.774
local terms energy: -114.067471
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -30.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -368.853078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.853078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.853078 (E_RNA)
where:
Base-Base interactions energy: -250.385
where: short stacking energy: -98.628
Base-Backbone interact. energy: 0.304
local terms energy: -118.772684
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -26.498
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -329.229513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.229513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.229513 (E_RNA)
where:
Base-Base interactions energy: -217.138
where: short stacking energy: -105.531
Base-Backbone interact. energy: -0.166
local terms energy: -111.925528
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -340.998505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.998505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.998505 (E_RNA)
where:
Base-Base interactions energy: -233.017
where: short stacking energy: -96.791
Base-Backbone interact. energy: -0.287
local terms energy: -107.694109
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -28.257
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: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -304.927976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.927976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.927976 (E_RNA)
where:
Base-Base interactions energy: -190.647
where: short stacking energy: -85.258
Base-Backbone interact. energy: -0.599
local terms energy: -113.681276
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -295.955672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.955672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.955672 (E_RNA)
where:
Base-Base interactions energy: -196.688
where: short stacking energy: -78.058
Base-Backbone interact. energy: -0.605
local terms energy: -98.662651
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -15.864
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: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -220.022919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.022919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.022919 (E_RNA)
where:
Base-Base interactions energy: -126.099
where: short stacking energy: -61.344
Base-Backbone interact. energy: 1.392
local terms energy: -95.315801
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -130.120317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.120317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.120317 (E_RNA)
where:
Base-Base interactions energy: -55.012
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.473
local terms energy: -74.634796
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -12.767
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: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -122.878086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.878086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.878086 (E_RNA)
where:
Base-Base interactions energy: -48.138
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.224
local terms energy: -74.516435
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -427.624503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.624503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.624503 (E_RNA)
where:
Base-Base interactions energy: -303.270
where: short stacking energy: -126.233
Base-Backbone interact. energy: -0.247
local terms energy: -124.106971
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -388.384910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.384910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.384910 (E_RNA)
where:
Base-Base interactions energy: -282.934
where: short stacking energy: -100.826
Base-Backbone interact. energy: -0.313
local terms energy: -105.137718
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -365.743496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.743496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.743496 (E_RNA)
where:
Base-Base interactions energy: -251.498
where: short stacking energy: -100.863
Base-Backbone interact. energy: 0.259
local terms energy: -114.504481
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -27.468
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: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -313.501403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.501403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.501403 (E_RNA)
where:
Base-Base interactions energy: -211.768
where: short stacking energy: -93.764
Base-Backbone interact. energy: -0.524
local terms energy: -101.209984
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -25.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -318.539802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.539802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.539802 (E_RNA)
where:
Base-Base interactions energy: -218.308
where: short stacking energy: -95.081
Base-Backbone interact. energy: 1.396
local terms energy: -101.628115
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -24.301
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: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -300.561442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.561442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.561442 (E_RNA)
where:
Base-Base interactions energy: -190.744
where: short stacking energy: -81.888
Base-Backbone interact. energy: 0.602
local terms energy: -110.419950
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -27.825
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: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -289.487143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.487143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.487143 (E_RNA)
where:
Base-Base interactions energy: -184.415
where: short stacking energy: -87.677
Base-Backbone interact. energy: -0.061
local terms energy: -105.011795
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -17.822
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: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -247.903772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.903772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.903772 (E_RNA)
where:
Base-Base interactions energy: -158.381
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.329
local terms energy: -89.193925
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -140.929529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.929529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.929529 (E_RNA)
where:
Base-Base interactions energy: -75.839
where: short stacking energy: -40.844
Base-Backbone interact. energy: 0.677
local terms energy: -65.767963
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -149.482393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.482393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.482393 (E_RNA)
where:
Base-Base interactions energy: -57.223
where: short stacking energy: -48.146
Base-Backbone interact. energy: -1.129
local terms energy: -91.130130
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -433.848838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.848838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.848838 (E_RNA)
where:
Base-Base interactions energy: -303.854
where: short stacking energy: -120.135
Base-Backbone interact. energy: -0.277
local terms energy: -129.717673
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -36.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -396.376165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.376165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.376165 (E_RNA)
where:
Base-Base interactions energy: -279.276
where: short stacking energy: -112.665
Base-Backbone interact. energy: -0.179
local terms energy: -116.920728
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -30.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -347.491285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.491285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.491285 (E_RNA)
where:
Base-Base interactions energy: -245.861
where: short stacking energy: -96.482
Base-Backbone interact. energy: -0.227
local terms energy: -101.403266
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -346.210320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.210320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.210320 (E_RNA)
where:
Base-Base interactions energy: -232.762
where: short stacking energy: -98.553
Base-Backbone interact. energy: -0.213
local terms energy: -113.235719
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -319.974449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.974449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.974449 (E_RNA)
where:
Base-Base interactions energy: -212.274
where: short stacking energy: -89.222
Base-Backbone interact. energy: -0.176
local terms energy: -107.524376
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -30.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -294.260583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.260583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.260583 (E_RNA)
where:
Base-Base interactions energy: -198.977
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.081
local terms energy: -95.202961
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -281.479100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.479100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.479100 (E_RNA)
where:
Base-Base interactions energy: -180.643
where: short stacking energy: -83.839
Base-Backbone interact. energy: -1.268
local terms energy: -99.567471
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -264.424272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.424272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.424272 (E_RNA)
where:
Base-Base interactions energy: -169.653
where: short stacking energy: -70.605
Base-Backbone interact. energy: 0.134
local terms energy: -94.905342
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -24.798
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: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -130.468350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.468350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.468350 (E_RNA)
where:
Base-Base interactions energy: -47.411
where: short stacking energy: -24.155
Base-Backbone interact. energy: -0.175
local terms energy: -82.882365
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -3.686
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: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -110.135591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.135591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.135591 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -26.105
Base-Backbone interact. energy: -0.245
local terms energy: -76.574163
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: 1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -426.021194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.021194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.021194 (E_RNA)
where:
Base-Base interactions energy: -297.769
where: short stacking energy: -125.197
Base-Backbone interact. energy: -0.008
local terms energy: -128.244800
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -27.220
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -38.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -401.072573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.072573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.072573 (E_RNA)
where:
Base-Base interactions energy: -290.074
where: short stacking energy: -104.982
Base-Backbone interact. energy: -0.190
local terms energy: -110.808844
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -30.375
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: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -362.369897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.369897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.369897 (E_RNA)
where:
Base-Base interactions energy: -253.854
where: short stacking energy: -107.156
Base-Backbone interact. energy: 0.157
local terms energy: -108.673004
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -25.011
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: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -370.285151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.285151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.285151 (E_RNA)
where:
Base-Base interactions energy: -248.587
where: short stacking energy: -104.720
Base-Backbone interact. energy: -0.323
local terms energy: -121.375574
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -30.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -303.072594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.072594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.072594 (E_RNA)
where:
Base-Base interactions energy: -204.852
where: short stacking energy: -84.723
Base-Backbone interact. energy: -0.064
local terms energy: -98.156014
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -315.094263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.094263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.094263 (E_RNA)
where:
Base-Base interactions energy: -212.786
where: short stacking energy: -93.696
Base-Backbone interact. energy: 0.716
local terms energy: -103.024599
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -28.916
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: 214
Temperature: 1.200000
Total energy: -271.413907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.413907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.413907 (E_RNA)
where:
Base-Base interactions energy: -160.440
where: short stacking energy: -78.606
Base-Backbone interact. energy: -0.188
local terms energy: -110.786074
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -271.838389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.838389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.838389 (E_RNA)
where:
Base-Base interactions energy: -183.079
where: short stacking energy: -75.178
Base-Backbone interact. energy: -0.847
local terms energy: -87.912472
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -127.785997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.785997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.785997 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -39.235
Base-Backbone interact. energy: -0.200
local terms energy: -84.632550
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -125.338885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.338885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.338885 (E_RNA)
where:
Base-Base interactions energy: -60.263
where: short stacking energy: -45.174
Base-Backbone interact. energy: -0.605
local terms energy: -64.471077
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -5.132
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -411.907890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.907890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.907890 (E_RNA)
where:
Base-Base interactions energy: -289.375
where: short stacking energy: -117.403
Base-Backbone interact. energy: 0.124
local terms energy: -122.656785
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -36.056
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: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -400.411337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.411337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.411337 (E_RNA)
where:
Base-Base interactions energy: -280.401
where: short stacking energy: -103.912
Base-Backbone interact. energy: -0.607
local terms energy: -119.403429
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -26.454
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -29.199
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: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -368.015277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.015277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.015277 (E_RNA)
where:
Base-Base interactions energy: -250.435
where: short stacking energy: -101.604
Base-Backbone interact. energy: -0.142
local terms energy: -117.438390
where:
bonds (distance) C4'-P energy: -23.540
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -28.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -349.212331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.212331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.212331 (E_RNA)
where:
Base-Base interactions energy: -238.528
where: short stacking energy: -106.019
Base-Backbone interact. energy: -0.329
local terms energy: -110.355048
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -34.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -295.536374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.536374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.536374 (E_RNA)
where:
Base-Base interactions energy: -189.876
where: short stacking energy: -81.027
Base-Backbone interact. energy: -0.052
local terms energy: -105.607940
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -303.747105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.747105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.747105 (E_RNA)
where:
Base-Base interactions energy: -204.082
where: short stacking energy: -88.275
Base-Backbone interact. energy: -0.536
local terms energy: -99.129715
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -18.980
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: 215
Temperature: 1.200000
Total energy: -263.065957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.065957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.065957 (E_RNA)
where:
Base-Base interactions energy: -175.917
where: short stacking energy: -67.565
Base-Backbone interact. energy: -1.022
local terms energy: -86.127184
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -244.875780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.875780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.875780 (E_RNA)
where:
Base-Base interactions energy: -152.281
where: short stacking energy: -65.294
Base-Backbone interact. energy: 0.220
local terms energy: -92.814954
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -120.990051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.990051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.990051 (E_RNA)
where:
Base-Base interactions energy: -52.677
where: short stacking energy: -41.346
Base-Backbone interact. energy: 0.052
local terms energy: -68.364997
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -112.299221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.299221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.299221 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -29.228
Base-Backbone interact. energy: -0.724
local terms energy: -74.618938
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -412.587774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.587774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.587774 (E_RNA)
where:
Base-Base interactions energy: -284.721
where: short stacking energy: -117.691
Base-Backbone interact. energy: -0.052
local terms energy: -127.814023
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -35.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -398.711248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.711248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.711248 (E_RNA)
where:
Base-Base interactions energy: -285.736
where: short stacking energy: -111.874
Base-Backbone interact. energy: -0.521
local terms energy: -112.453578
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -30.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -391.325509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.325509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.325509 (E_RNA)
where:
Base-Base interactions energy: -277.946
where: short stacking energy: -111.819
Base-Backbone interact. energy: 0.179
local terms energy: -113.558461
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -350.672816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.672816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.672816 (E_RNA)
where:
Base-Base interactions energy: -238.590
where: short stacking energy: -98.350
Base-Backbone interact. energy: -0.969
local terms energy: -111.113776
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -29.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -317.181009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.181009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.181009 (E_RNA)
where:
Base-Base interactions energy: -207.380
where: short stacking energy: -95.616
Base-Backbone interact. energy: -0.810
local terms energy: -108.990872
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -28.320
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: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -308.853517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.853517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.853517 (E_RNA)
where:
Base-Base interactions energy: -195.921
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.168
local terms energy: -112.764490
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -300.967198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.967198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.967198 (E_RNA)
where:
Base-Base interactions energy: -217.272
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.886
local terms energy: -82.809650
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -4.927
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: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -249.608980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.608980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.608980 (E_RNA)
where:
Base-Base interactions energy: -168.434
where: short stacking energy: -75.763
Base-Backbone interact. energy: 1.618
local terms energy: -82.792485
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -15.340
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: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -111.143441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.143441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.143441 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.527
local terms energy: -75.808568
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -122.781615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.781615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.781615 (E_RNA)
where:
Base-Base interactions energy: -43.516
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.721
local terms energy: -78.544484
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -6.999
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: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -412.840082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.840082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.840082 (E_RNA)
where:
Base-Base interactions energy: -281.948
where: short stacking energy: -112.119
Base-Backbone interact. energy: -0.238
local terms energy: -130.654589
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -35.074
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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -399.136057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.136057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.136057 (E_RNA)
where:
Base-Base interactions energy: -285.714
where: short stacking energy: -113.776
Base-Backbone interact. energy: -0.445
local terms energy: -112.976941
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -365.356073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.356073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.356073 (E_RNA)
where:
Base-Base interactions energy: -256.562
where: short stacking energy: -87.411
Base-Backbone interact. energy: -0.235
local terms energy: -108.559227
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -358.197581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.197581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.197581 (E_RNA)
where:
Base-Base interactions energy: -242.969
where: short stacking energy: -107.217
Base-Backbone interact. energy: -0.014
local terms energy: -115.214401
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -31.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -304.033769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.033769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.033769 (E_RNA)
where:
Base-Base interactions energy: -194.478
where: short stacking energy: -87.004
Base-Backbone interact. energy: -0.261
local terms energy: -109.293932
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -29.110
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -306.173256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.173256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.173256 (E_RNA)
where:
Base-Base interactions energy: -201.830
where: short stacking energy: -93.955
Base-Backbone interact. energy: -0.142
local terms energy: -104.200316
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -25.187
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: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -256.104709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.104709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.104709 (E_RNA)
where:
Base-Base interactions energy: -157.745
where: short stacking energy: -71.089
Base-Backbone interact. energy: -0.570
local terms energy: -97.789646
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -13.307
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: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -209.118474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.118474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.118474 (E_RNA)
where:
Base-Base interactions energy: -117.765
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.162
local terms energy: -91.191418
where:
bonds (distance) C4'-P energy: -25.730
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -122.631954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.631954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.631954 (E_RNA)
where:
Base-Base interactions energy: -52.441
where: short stacking energy: -45.027
Base-Backbone interact. energy: -0.663
local terms energy: -69.527844
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -8.867
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: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -122.835021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.835021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.835021 (E_RNA)
where:
Base-Base interactions energy: -48.471
where: short stacking energy: -37.790
Base-Backbone interact. energy: 1.884
local terms energy: -76.247491
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -414.700662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.700662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.700662 (E_RNA)
where:
Base-Base interactions energy: -294.389
where: short stacking energy: -116.819
Base-Backbone interact. energy: -0.322
local terms energy: -119.989145
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -35.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -383.521731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.521731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.521731 (E_RNA)
where:
Base-Base interactions energy: -269.279
where: short stacking energy: -97.497
Base-Backbone interact. energy: -0.235
local terms energy: -114.007633
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -22.673
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -25.405
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: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -358.625965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.625965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.625965 (E_RNA)
where:
Base-Base interactions energy: -250.917
where: short stacking energy: -96.090
Base-Backbone interact. energy: 1.248
local terms energy: -108.957511
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -26.447
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -350.073736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.073736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.073736 (E_RNA)
where:
Base-Base interactions energy: -239.902
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.249
local terms energy: -109.922143
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -328.355209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.355209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.355209 (E_RNA)
where:
Base-Base interactions energy: -222.219
where: short stacking energy: -93.277
Base-Backbone interact. energy: 0.038
local terms energy: -106.174134
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -30.772
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: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -306.169516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.169516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.169516 (E_RNA)
where:
Base-Base interactions energy: -200.949
where: short stacking energy: -100.906
Base-Backbone interact. energy: -0.321
local terms energy: -104.898857
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -29.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -219.537925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.537925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.537925 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -62.468
Base-Backbone interact. energy: -0.058
local terms energy: -85.488509
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -234.745710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.745710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.745710 (E_RNA)
where:
Base-Base interactions energy: -149.851
where: short stacking energy: -58.443
Base-Backbone interact. energy: 3.114
local terms energy: -88.008379
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -164.152314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.152314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.152314 (E_RNA)
where:
Base-Base interactions energy: -83.527
where: short stacking energy: -47.769
Base-Backbone interact. energy: -0.153
local terms energy: -80.472178
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -113.477915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.477915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.477915 (E_RNA)
where:
Base-Base interactions energy: -48.017
where: short stacking energy: -37.096
Base-Backbone interact. energy: 0.320
local terms energy: -65.781411
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: 0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -410.715570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.715570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.715570 (E_RNA)
where:
Base-Base interactions energy: -286.551
where: short stacking energy: -117.659
Base-Backbone interact. energy: -0.011
local terms energy: -124.153551
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -36.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -395.417510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.417510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.417510 (E_RNA)
where:
Base-Base interactions energy: -281.987
where: short stacking energy: -100.195
Base-Backbone interact. energy: -0.580
local terms energy: -112.850800
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -26.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -356.133609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.133609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.133609 (E_RNA)
where:
Base-Base interactions energy: -242.393
where: short stacking energy: -104.151
Base-Backbone interact. energy: -1.081
local terms energy: -112.659779
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -356.678063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.678063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.678063 (E_RNA)
where:
Base-Base interactions energy: -244.859
where: short stacking energy: -105.962
Base-Backbone interact. energy: -0.124
local terms energy: -111.694416
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -33.640
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: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -316.285053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.285053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.285053 (E_RNA)
where:
Base-Base interactions energy: -214.301
where: short stacking energy: -96.550
Base-Backbone interact. energy: 0.456
local terms energy: -102.439760
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -23.352
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: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -316.098616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.098616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.098616 (E_RNA)
where:
Base-Base interactions energy: -202.423
where: short stacking energy: -98.259
Base-Backbone interact. energy: -0.124
local terms energy: -113.550760
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -29.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -247.724646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.724646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.724646 (E_RNA)
where:
Base-Base interactions energy: -159.785
where: short stacking energy: -79.812
Base-Backbone interact. energy: -0.155
local terms energy: -87.785236
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -245.078342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.078342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.078342 (E_RNA)
where:
Base-Base interactions energy: -158.097
where: short stacking energy: -59.219
Base-Backbone interact. energy: -0.427
local terms energy: -86.554541
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -114.883046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.883046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.883046 (E_RNA)
where:
Base-Base interactions energy: -57.768
where: short stacking energy: -45.548
Base-Backbone interact. energy: 5.613
local terms energy: -62.727876
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -121.327579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.327579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.327579 (E_RNA)
where:
Base-Base interactions energy: -61.214
where: short stacking energy: -47.636
Base-Backbone interact. energy: -0.920
local terms energy: -59.193856
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -0.620
tors. eta vs tors. theta energy: -5.379
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: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -419.242000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.242000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.242000 (E_RNA)
where:
Base-Base interactions energy: -291.648
where: short stacking energy: -121.153
Base-Backbone interact. energy: -0.295
local terms energy: -127.299857
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -39.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -391.338278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.338278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.338278 (E_RNA)
where:
Base-Base interactions energy: -273.118
where: short stacking energy: -100.302
Base-Backbone interact. energy: -1.617
local terms energy: -116.603372
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -28.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -357.181973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.181973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.181973 (E_RNA)
where:
Base-Base interactions energy: -242.588
where: short stacking energy: -102.218
Base-Backbone interact. energy: -0.177
local terms energy: -114.416924
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -29.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -370.197200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.197200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.197200 (E_RNA)
where:
Base-Base interactions energy: -258.614
where: short stacking energy: -101.390
Base-Backbone interact. energy: -0.609
local terms energy: -110.974318
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -26.345
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -287.243680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.243680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.243680 (E_RNA)
where:
Base-Base interactions energy: -188.333
where: short stacking energy: -72.544
Base-Backbone interact. energy: -0.601
local terms energy: -98.309536
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -16.824
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: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -300.230833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.230833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.230833 (E_RNA)
where:
Base-Base interactions energy: -194.928
where: short stacking energy: -81.064
Base-Backbone interact. energy: -1.919
local terms energy: -103.383583
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -14.522
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: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -253.182579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.182579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.182579 (E_RNA)
where:
Base-Base interactions energy: -171.822
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.236
local terms energy: -81.123631
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -233.464375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.464375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.464375 (E_RNA)
where:
Base-Base interactions energy: -150.259
where: short stacking energy: -69.776
Base-Backbone interact. energy: 0.268
local terms energy: -83.473610
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -15.770
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: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -123.785963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.785963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.785963 (E_RNA)
where:
Base-Base interactions energy: -37.457
where: short stacking energy: -35.174
Base-Backbone interact. energy: -0.134
local terms energy: -86.195609
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -111.641434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.641434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.641434 (E_RNA)
where:
Base-Base interactions energy: -52.820
where: short stacking energy: -36.440
Base-Backbone interact. energy: -0.485
local terms energy: -58.336497
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -423.303729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.303729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.303729 (E_RNA)
where:
Base-Base interactions energy: -303.279
where: short stacking energy: -124.573
Base-Backbone interact. energy: 0.041
local terms energy: -120.066038
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -39.666
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: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -393.004097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.004097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.004097 (E_RNA)
where:
Base-Base interactions energy: -276.433
where: short stacking energy: -95.141
Base-Backbone interact. energy: -0.574
local terms energy: -115.997546
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -29.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -351.867143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.867143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.867143 (E_RNA)
where:
Base-Base interactions energy: -242.624
where: short stacking energy: -103.429
Base-Backbone interact. energy: -0.305
local terms energy: -108.938679
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -27.706
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: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -366.095583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.095583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.095583 (E_RNA)
where:
Base-Base interactions energy: -256.012
where: short stacking energy: -98.123
Base-Backbone interact. energy: -1.021
local terms energy: -109.062953
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -29.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -307.735670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.735670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.735670 (E_RNA)
where:
Base-Base interactions energy: -209.115
where: short stacking energy: -93.950
Base-Backbone interact. energy: 1.538
local terms energy: -100.159009
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -15.521
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: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -295.109876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.109876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.109876 (E_RNA)
where:
Base-Base interactions energy: -194.226
where: short stacking energy: -86.712
Base-Backbone interact. energy: -0.746
local terms energy: -100.138038
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -20.614
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: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -242.613343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.613343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.613343 (E_RNA)
where:
Base-Base interactions energy: -152.340
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.799
local terms energy: -89.475111
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -201.251758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.251758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.251758 (E_RNA)
where:
Base-Base interactions energy: -120.368
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.109
local terms energy: -80.774914
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -164.820376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.820376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.820376 (E_RNA)
where:
Base-Base interactions energy: -77.124
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.241
local terms energy: -87.455757
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -10.541
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: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -118.899029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.899029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.899029 (E_RNA)
where:
Base-Base interactions energy: -49.420
where: short stacking energy: -45.436
Base-Backbone interact. energy: 0.581
local terms energy: -70.059718
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: 0.686
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: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -427.114829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.114829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.114829 (E_RNA)
where:
Base-Base interactions energy: -303.508
where: short stacking energy: -128.134
Base-Backbone interact. energy: -0.478
local terms energy: -123.129703
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -25.758
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -35.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -404.897710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.897710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.897710 (E_RNA)
where:
Base-Base interactions energy: -285.836
where: short stacking energy: -115.307
Base-Backbone interact. energy: -1.165
local terms energy: -117.897316
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -30.248
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: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -375.247057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.247057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.247057 (E_RNA)
where:
Base-Base interactions energy: -264.279
where: short stacking energy: -107.218
Base-Backbone interact. energy: -1.511
local terms energy: -109.457109
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -24.355
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: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -357.229025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.229025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.229025 (E_RNA)
where:
Base-Base interactions energy: -246.763
where: short stacking energy: -105.141
Base-Backbone interact. energy: -0.002
local terms energy: -110.464671
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -30.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -333.540865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.540865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.540865 (E_RNA)
where:
Base-Base interactions energy: -237.078
where: short stacking energy: -108.000
Base-Backbone interact. energy: 0.574
local terms energy: -97.037116
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -33.107
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: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -300.128102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.128102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.128102 (E_RNA)
where:
Base-Base interactions energy: -210.612
where: short stacking energy: -89.222
Base-Backbone interact. energy: -0.583
local terms energy: -88.933057
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -240.550427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.550427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.550427 (E_RNA)
where:
Base-Base interactions energy: -154.713
where: short stacking energy: -64.095
Base-Backbone interact. energy: 0.702
local terms energy: -86.539157
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -202.281148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.281148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281148 (E_RNA)
where:
Base-Base interactions energy: -113.559
where: short stacking energy: -57.275
Base-Backbone interact. energy: -0.129
local terms energy: -88.593405
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -132.087246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.087246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.087246 (E_RNA)
where:
Base-Base interactions energy: -69.833
where: short stacking energy: -38.659
Base-Backbone interact. energy: 0.367
local terms energy: -62.621175
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -114.924741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.924741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.924741 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.660
local terms energy: -75.479741
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -427.523384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.523384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.523384 (E_RNA)
where:
Base-Base interactions energy: -297.557
where: short stacking energy: -128.897
Base-Backbone interact. energy: -0.017
local terms energy: -129.949009
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -36.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -365.418739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.418739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.418739 (E_RNA)
where:
Base-Base interactions energy: -251.686
where: short stacking energy: -88.897
Base-Backbone interact. energy: -0.301
local terms energy: -113.432138
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -23.936
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: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -388.103941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.103941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.103941 (E_RNA)
where:
Base-Base interactions energy: -272.437
where: short stacking energy: -107.629
Base-Backbone interact. energy: -0.339
local terms energy: -115.327783
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -29.210
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: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -364.159377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.159377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.159377 (E_RNA)
where:
Base-Base interactions energy: -242.931
where: short stacking energy: -110.415
Base-Backbone interact. energy: -0.107
local terms energy: -121.121810
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -32.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -334.567783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.567783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.567783 (E_RNA)
where:
Base-Base interactions energy: -221.641
where: short stacking energy: -88.282
Base-Backbone interact. energy: -0.438
local terms energy: -112.488559
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -27.133
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -23.287
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: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -305.200873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.200873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.200873 (E_RNA)
where:
Base-Base interactions energy: -200.978
where: short stacking energy: -92.605
Base-Backbone interact. energy: -0.383
local terms energy: -103.839341
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -206.904445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.904445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.904445 (E_RNA)
where:
Base-Base interactions energy: -119.072
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.396
local terms energy: -87.436980
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -198.922079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922079 (E_RNA)
where:
Base-Base interactions energy: -119.307
where: short stacking energy: -63.953
Base-Backbone interact. energy: 0.375
local terms energy: -79.989776
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -26.092
flat angles P-C4'-P energy: 0.363
tors. eta vs tors. theta energy: -9.603
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: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -114.020237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.020237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.020237 (E_RNA)
where:
Base-Base interactions energy: -40.945
where: short stacking energy: -40.945
Base-Backbone interact. energy: 0.083
local terms energy: -73.158556
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -1.925
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: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -131.277820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.277820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.277820 (E_RNA)
where:
Base-Base interactions energy: -64.703
where: short stacking energy: -49.723
Base-Backbone interact. energy: 0.712
local terms energy: -67.287303
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -430.665704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.665704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.665704 (E_RNA)
where:
Base-Base interactions energy: -301.584
where: short stacking energy: -123.478
Base-Backbone interact. energy: -0.437
local terms energy: -128.644833
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -27.653
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -386.316360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.316360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.316360 (E_RNA)
where:
Base-Base interactions energy: -271.362
where: short stacking energy: -112.117
Base-Backbone interact. energy: -0.127
local terms energy: -114.827996
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -361.181971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.181971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.181971 (E_RNA)
where:
Base-Base interactions energy: -240.360
where: short stacking energy: -107.462
Base-Backbone interact. energy: -0.484
local terms energy: -120.337588
where:
bonds (distance) C4'-P energy: -26.597
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -30.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -369.216441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.216441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.216441 (E_RNA)
where:
Base-Base interactions energy: -273.695
where: short stacking energy: -106.735
Base-Backbone interact. energy: -0.862
local terms energy: -94.659384
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -307.844124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.844124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.844124 (E_RNA)
where:
Base-Base interactions energy: -208.958
where: short stacking energy: -89.944
Base-Backbone interact. energy: -0.049
local terms energy: -98.837682
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -23.990
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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -318.274399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.274399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.274399 (E_RNA)
where:
Base-Base interactions energy: -222.372
where: short stacking energy: -94.119
Base-Backbone interact. energy: 0.412
local terms energy: -96.314018
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -21.685
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: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -245.223918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.223918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.223918 (E_RNA)
where:
Base-Base interactions energy: -148.074
where: short stacking energy: -83.720
Base-Backbone interact. energy: -0.256
local terms energy: -96.893754
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -209.540663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.540663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.540663 (E_RNA)
where:
Base-Base interactions energy: -119.382
where: short stacking energy: -51.544
Base-Backbone interact. energy: -0.257
local terms energy: -89.902078
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -7.695
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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -137.455927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.455927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.455927 (E_RNA)
where:
Base-Base interactions energy: -54.784
where: short stacking energy: -53.836
Base-Backbone interact. energy: 2.890
local terms energy: -85.562537
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -120.850620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.850620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.850620 (E_RNA)
where:
Base-Base interactions energy: -42.093
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.398
local terms energy: -78.360015
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -422.372997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.372997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.372997 (E_RNA)
where:
Base-Base interactions energy: -301.705
where: short stacking energy: -124.275
Base-Backbone interact. energy: -0.044
local terms energy: -120.623237
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -37.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -356.835516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.835516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.835516 (E_RNA)
where:
Base-Base interactions energy: -255.470
where: short stacking energy: -103.423
Base-Backbone interact. energy: -0.667
local terms energy: -100.698919
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -25.475
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: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -381.495733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.495733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.495733 (E_RNA)
where:
Base-Base interactions energy: -262.529
where: short stacking energy: -103.754
Base-Backbone interact. energy: -0.429
local terms energy: -118.537867
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -28.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -368.612401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.612401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.612401 (E_RNA)
where:
Base-Base interactions energy: -260.448
where: short stacking energy: -105.585
Base-Backbone interact. energy: -0.393
local terms energy: -107.771769
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -305.527466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.527466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.527466 (E_RNA)
where:
Base-Base interactions energy: -201.262
where: short stacking energy: -82.678
Base-Backbone interact. energy: -0.295
local terms energy: -103.970603
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -22.584
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: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -314.191063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.191063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.191063 (E_RNA)
where:
Base-Base interactions energy: -224.826
where: short stacking energy: -89.111
Base-Backbone interact. energy: -0.270
local terms energy: -89.094885
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -240.210876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.210876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.210876 (E_RNA)
where:
Base-Base interactions energy: -147.174
where: short stacking energy: -68.421
Base-Backbone interact. energy: -1.047
local terms energy: -91.989716
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -6.896
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: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -205.218299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.218299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.218299 (E_RNA)
where:
Base-Base interactions energy: -121.994
where: short stacking energy: -67.042
Base-Backbone interact. energy: 0.244
local terms energy: -83.467914
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -16.938
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: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -108.834764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.834764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.834764 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -34.205
Base-Backbone interact. energy: -0.609
local terms energy: -73.488753
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -16.130
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: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -116.519161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.519161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.519161 (E_RNA)
where:
Base-Base interactions energy: -45.909
where: short stacking energy: -42.092
Base-Backbone interact. energy: -0.429
local terms energy: -70.181042
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -13.559
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: 10
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -422.632908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.632908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.632908 (E_RNA)
where:
Base-Base interactions energy: -294.326
where: short stacking energy: -122.503
Base-Backbone interact. energy: -0.225
local terms energy: -128.082221
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -37.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -348.907954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.907954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.907954 (E_RNA)
where:
Base-Base interactions energy: -252.164
where: short stacking energy: -97.606
Base-Backbone interact. energy: -0.653
local terms energy: -96.091204
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -21.048
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: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -367.962647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.962647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.962647 (E_RNA)
where:
Base-Base interactions energy: -252.396
where: short stacking energy: -99.661
Base-Backbone interact. energy: -0.986
local terms energy: -114.580858
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -23.792
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: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -354.710657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.710657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.710657 (E_RNA)
where:
Base-Base interactions energy: -248.309
where: short stacking energy: -83.370
Base-Backbone interact. energy: 0.372
local terms energy: -106.773394
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -26.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -322.072270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.072270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.072270 (E_RNA)
where:
Base-Base interactions energy: -221.795
where: short stacking energy: -86.952
Base-Backbone interact. energy: -0.343
local terms energy: -99.934200
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -21.718
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: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -297.233239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.233239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.233239 (E_RNA)
where:
Base-Base interactions energy: -196.193
where: short stacking energy: -85.790
Base-Backbone interact. energy: 1.085
local terms energy: -102.125798
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -18.220
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: 226
Temperature: 1.200000
Total energy: -235.511016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.511016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.511016 (E_RNA)
where:
Base-Base interactions energy: -140.119
where: short stacking energy: -80.139
Base-Backbone interact. energy: -0.547
local terms energy: -94.845692
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -14.856
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: 226
Temperature: 1.250000
Total energy: -191.084916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.084916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.084916 (E_RNA)
where:
Base-Base interactions energy: -116.828
where: short stacking energy: -66.265
Base-Backbone interact. energy: -0.261
local terms energy: -73.995902
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -118.162907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.162907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.162907 (E_RNA)
where:
Base-Base interactions energy: -38.378
where: short stacking energy: -29.044
Base-Backbone interact. energy: 0.218
local terms energy: -80.003009
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -115.836916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.836916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.836916 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -30.020
Base-Backbone interact. energy: -0.315
local terms energy: -64.650734
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: 2.088
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: 1, replica: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -413.665222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.665222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.665222 (E_RNA)
where:
Base-Base interactions energy: -285.116
where: short stacking energy: -122.896
Base-Backbone interact. energy: -0.015
local terms energy: -128.534675
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -38.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -349.322493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.322493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.322493 (E_RNA)
where:
Base-Base interactions energy: -241.035
where: short stacking energy: -89.601
Base-Backbone interact. energy: -0.384
local terms energy: -107.903385
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -11.308
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: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -374.150851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.150851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.150851 (E_RNA)
where:
Base-Base interactions energy: -258.059
where: short stacking energy: -107.762
Base-Backbone interact. energy: -1.512
local terms energy: -114.578933
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -26.322
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: 227
Temperature: 1.050000
Total energy: -367.217181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.217181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.217181 (E_RNA)
where:
Base-Base interactions energy: -260.585
where: short stacking energy: -108.906
Base-Backbone interact. energy: 0.086
local terms energy: -106.718452
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -336.585081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.585081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.585081 (E_RNA)
where:
Base-Base interactions energy: -229.982
where: short stacking energy: -99.260
Base-Backbone interact. energy: -0.145
local terms energy: -106.458334
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -267.168180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.168180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.168180 (E_RNA)
where:
Base-Base interactions energy: -158.075
where: short stacking energy: -88.709
Base-Backbone interact. energy: -0.843
local terms energy: -108.250190
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -28.158
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: 227
Temperature: 1.200000
Total energy: -283.527656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.527656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.527656 (E_RNA)
where:
Base-Base interactions energy: -182.980
where: short stacking energy: -81.014
Base-Backbone interact. energy: -0.303
local terms energy: -100.243954
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -22.428
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: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -203.432122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.432122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.432122 (E_RNA)
where:
Base-Base interactions energy: -114.710
where: short stacking energy: -55.074
Base-Backbone interact. energy: 0.986
local terms energy: -89.708127
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -129.276440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.276440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.276440 (E_RNA)
where:
Base-Base interactions energy: -50.573
where: short stacking energy: -48.835
Base-Backbone interact. energy: -0.252
local terms energy: -78.451199
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -10.770
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: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -126.361433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.361433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.361433 (E_RNA)
where:
Base-Base interactions energy: -57.661
where: short stacking energy: -40.598
Base-Backbone interact. energy: -0.432
local terms energy: -68.269233
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -4.940
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: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -413.797280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.797280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.797280 (E_RNA)
where:
Base-Base interactions energy: -288.565
where: short stacking energy: -120.401
Base-Backbone interact. energy: -0.080
local terms energy: -125.152385
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -35.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -357.066918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.066918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.066918 (E_RNA)
where:
Base-Base interactions energy: -253.383
where: short stacking energy: -94.350
Base-Backbone interact. energy: -0.289
local terms energy: -103.395004
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -368.416094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.416094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.416094 (E_RNA)
where:
Base-Base interactions energy: -256.211
where: short stacking energy: -102.741
Base-Backbone interact. energy: -0.512
local terms energy: -111.692551
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -372.602385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.602385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.602385 (E_RNA)
where:
Base-Base interactions energy: -269.718
where: short stacking energy: -106.045
Base-Backbone interact. energy: 0.019
local terms energy: -102.903478
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -30.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -320.845368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.845368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.845368 (E_RNA)
where:
Base-Base interactions energy: -220.551
where: short stacking energy: -97.116
Base-Backbone interact. energy: -0.277
local terms energy: -100.016706
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -26.044
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: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -261.659576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.659576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.659576 (E_RNA)
where:
Base-Base interactions energy: -170.757
where: short stacking energy: -85.580
Base-Backbone interact. energy: 1.034
local terms energy: -91.937025
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -277.312636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.312636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.312636 (E_RNA)
where:
Base-Base interactions energy: -178.647
where: short stacking energy: -71.980
Base-Backbone interact. energy: 0.532
local terms energy: -99.196820
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -194.029135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029135 (E_RNA)
where:
Base-Base interactions energy: -107.224
where: short stacking energy: -72.767
Base-Backbone interact. energy: -0.269
local terms energy: -86.535313
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -134.450306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.450306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.450306 (E_RNA)
where:
Base-Base interactions energy: -57.332
where: short stacking energy: -33.635
Base-Backbone interact. energy: -0.622
local terms energy: -76.496097
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -168.879985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.879985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.879985 (E_RNA)
where:
Base-Base interactions energy: -91.825
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.409
local terms energy: -76.646364
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -418.110599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.110599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.110599 (E_RNA)
where:
Base-Base interactions energy: -295.003
where: short stacking energy: -111.165
Base-Backbone interact. energy: -0.001
local terms energy: -123.106844
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -34.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -392.922550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.922550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.922550 (E_RNA)
where:
Base-Base interactions energy: -275.474
where: short stacking energy: -116.517
Base-Backbone interact. energy: 1.536
local terms energy: -118.983798
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -345.803109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.803109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.803109 (E_RNA)
where:
Base-Base interactions energy: -241.006
where: short stacking energy: -103.258
Base-Backbone interact. energy: -1.060
local terms energy: -103.737032
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -23.560
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: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -340.216448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.216448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.216448 (E_RNA)
where:
Base-Base interactions energy: -231.478
where: short stacking energy: -104.863
Base-Backbone interact. energy: -1.679
local terms energy: -107.059369
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -32.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -354.811021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.811021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.811021 (E_RNA)
where:
Base-Base interactions energy: -243.346
where: short stacking energy: -96.164
Base-Backbone interact. energy: -0.059
local terms energy: -111.405894
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -298.466944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.466944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.466944 (E_RNA)
where:
Base-Base interactions energy: -189.517
where: short stacking energy: -83.869
Base-Backbone interact. energy: -0.214
local terms energy: -108.736149
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -16.358
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: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -229.493615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.493615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.493615 (E_RNA)
where:
Base-Base interactions energy: -146.788
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.639
local terms energy: -82.067159
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -216.641875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.641875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.641875 (E_RNA)
where:
Base-Base interactions energy: -134.446
where: short stacking energy: -72.953
Base-Backbone interact. energy: 1.610
local terms energy: -83.806195
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -128.073032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.073032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.073032 (E_RNA)
where:
Base-Base interactions energy: -44.008
where: short stacking energy: -43.783
Base-Backbone interact. energy: 0.517
local terms energy: -84.581717
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -8.372
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: 229
Temperature: 1.350000
Total energy: -173.296213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.296213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.296213 (E_RNA)
where:
Base-Base interactions energy: -89.989
where: short stacking energy: -55.100
Base-Backbone interact. energy: -0.125
local terms energy: -83.182137
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -413.881867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.881867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.881867 (E_RNA)
where:
Base-Base interactions energy: -285.998
where: short stacking energy: -117.629
Base-Backbone interact. energy: -0.208
local terms energy: -127.676333
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -36.376
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: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -391.547765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.547765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.547765 (E_RNA)
where:
Base-Base interactions energy: -278.777
where: short stacking energy: -109.793
Base-Backbone interact. energy: 1.096
local terms energy: -113.866312
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -27.584
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: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -353.914147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.914147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.914147 (E_RNA)
where:
Base-Base interactions energy: -240.127
where: short stacking energy: -79.338
Base-Backbone interact. energy: -1.570
local terms energy: -112.216907
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -15.697
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: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -341.725796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.725796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.725796 (E_RNA)
where:
Base-Base interactions energy: -240.352
where: short stacking energy: -91.232
Base-Backbone interact. energy: -0.475
local terms energy: -100.898405
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -21.376
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: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -305.923562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.923562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.923562 (E_RNA)
where:
Base-Base interactions energy: -202.859
where: short stacking energy: -100.608
Base-Backbone interact. energy: -0.065
local terms energy: -102.998918
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -24.037
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: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -326.374114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.374114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.374114 (E_RNA)
where:
Base-Base interactions energy: -222.019
where: short stacking energy: -82.402
Base-Backbone interact. energy: -0.101
local terms energy: -104.253488
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -207.655913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.655913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.655913 (E_RNA)
where:
Base-Base interactions energy: -132.065
where: short stacking energy: -66.591
Base-Backbone interact. energy: -0.808
local terms energy: -74.783540
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -5.500
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: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -221.269095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269095 (E_RNA)
where:
Base-Base interactions energy: -138.891
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.512
local terms energy: -81.865693
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -4.586
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: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -174.913136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.913136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.913136 (E_RNA)
where:
Base-Base interactions energy: -108.655
where: short stacking energy: -48.732
Base-Backbone interact. energy: -0.060
local terms energy: -66.197673
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -10.104
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: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -115.261068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.261068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.261068 (E_RNA)
where:
Base-Base interactions energy: -57.122
where: short stacking energy: -41.972
Base-Backbone interact. energy: -0.380
local terms energy: -57.758513
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -429.807552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.807552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.807552 (E_RNA)
where:
Base-Base interactions energy: -310.026
where: short stacking energy: -125.707
Base-Backbone interact. energy: -0.025
local terms energy: -119.755781
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -39.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -380.433085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.433085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.433085 (E_RNA)
where:
Base-Base interactions energy: -259.239
where: short stacking energy: -101.188
Base-Backbone interact. energy: 0.010
local terms energy: -121.204795
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -27.312
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -25.058
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: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -365.888767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.888767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.888767 (E_RNA)
where:
Base-Base interactions energy: -249.809
where: short stacking energy: -107.300
Base-Backbone interact. energy: 1.731
local terms energy: -117.810406
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -30.439
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: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -341.603750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.603750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.603750 (E_RNA)
where:
Base-Base interactions energy: -231.006
where: short stacking energy: -88.937
Base-Backbone interact. energy: -0.268
local terms energy: -110.330262
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -16.612
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: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -297.295275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.295275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.295275 (E_RNA)
where:
Base-Base interactions energy: -195.763
where: short stacking energy: -82.800
Base-Backbone interact. energy: 0.440
local terms energy: -101.971906
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -322.756594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.756594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.756594 (E_RNA)
where:
Base-Base interactions energy: -222.935
where: short stacking energy: -89.750
Base-Backbone interact. energy: -0.457
local terms energy: -99.365068
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -197.996041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.996041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.996041 (E_RNA)
where:
Base-Base interactions energy: -118.975
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.421
local terms energy: -78.600430
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -5.471
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: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -207.006169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.006169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.006169 (E_RNA)
where:
Base-Base interactions energy: -121.988
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.060
local terms energy: -84.958104
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -129.922507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.922507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.922507 (E_RNA)
where:
Base-Base interactions energy: -58.053
where: short stacking energy: -34.765
Base-Backbone interact. energy: -0.538
local terms energy: -71.330954
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -111.631574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.631574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.631574 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -41.926
Base-Backbone interact. energy: -0.852
local terms energy: -65.894335
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -423.535083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.535083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.535083 (E_RNA)
where:
Base-Base interactions energy: -301.433
where: short stacking energy: -121.969
Base-Backbone interact. energy: -0.214
local terms energy: -121.888044
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -37.528
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: 232
Temperature: 0.950000
Total energy: -385.234106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.234106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.234106 (E_RNA)
where:
Base-Base interactions energy: -266.193
where: short stacking energy: -104.266
Base-Backbone interact. energy: -0.344
local terms energy: -118.696527
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -30.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -357.913709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.913709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.913709 (E_RNA)
where:
Base-Base interactions energy: -246.244
where: short stacking energy: -93.761
Base-Backbone interact. energy: 0.206
local terms energy: -111.876007
where:
bonds (distance) C4'-P energy: -23.612
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -28.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -348.442114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.442114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.442114 (E_RNA)
where:
Base-Base interactions energy: -243.490
where: short stacking energy: -95.638
Base-Backbone interact. energy: 0.010
local terms energy: -104.962209
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -351.006644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.006644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.006644 (E_RNA)
where:
Base-Base interactions energy: -243.429
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.736
local terms energy: -106.841830
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -27.130
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -27.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -304.275249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.275249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.275249 (E_RNA)
where:
Base-Base interactions energy: -207.069
where: short stacking energy: -94.166
Base-Backbone interact. energy: 0.625
local terms energy: -97.831622
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -22.306
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: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -217.082392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.082392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.082392 (E_RNA)
where:
Base-Base interactions energy: -129.294
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.264
local terms energy: -87.524886
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -212.818842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.818842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.818842 (E_RNA)
where:
Base-Base interactions energy: -120.451
where: short stacking energy: -70.370
Base-Backbone interact. energy: 0.033
local terms energy: -92.400813
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -119.389457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.389457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.389457 (E_RNA)
where:
Base-Base interactions energy: -45.910
where: short stacking energy: -43.971
Base-Backbone interact. energy: -0.061
local terms energy: -73.418028
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -3.394
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: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -117.036615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.036615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.036615 (E_RNA)
where:
Base-Base interactions energy: -42.284
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.358
local terms energy: -74.395479
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -433.509260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.509260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.509260 (E_RNA)
where:
Base-Base interactions energy: -308.537
where: short stacking energy: -127.817
Base-Backbone interact. energy: -0.753
local terms energy: -124.219855
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -37.367
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: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -382.429453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.429453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.429453 (E_RNA)
where:
Base-Base interactions energy: -269.798
where: short stacking energy: -109.253
Base-Backbone interact. energy: -0.239
local terms energy: -112.392422
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -28.558
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: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -353.957494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.957494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.957494 (E_RNA)
where:
Base-Base interactions energy: -239.185
where: short stacking energy: -99.275
Base-Backbone interact. energy: -1.502
local terms energy: -113.270763
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -30.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -347.968112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.968112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.968112 (E_RNA)
where:
Base-Base interactions energy: -239.421
where: short stacking energy: -93.263
Base-Backbone interact. energy: 0.477
local terms energy: -109.023617
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -330.816890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.816890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.816890 (E_RNA)
where:
Base-Base interactions energy: -230.000
where: short stacking energy: -90.300
Base-Backbone interact. energy: 0.705
local terms energy: -101.522307
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -299.863208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.863208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.863208 (E_RNA)
where:
Base-Base interactions energy: -209.873
where: short stacking energy: -89.769
Base-Backbone interact. energy: 2.617
local terms energy: -92.607110
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -20.268
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: 233
Temperature: 1.200000
Total energy: -204.494369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.494369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.494369 (E_RNA)
where:
Base-Base interactions energy: -123.584
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.143
local terms energy: -80.767490
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -213.957221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.957221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.957221 (E_RNA)
where:
Base-Base interactions energy: -128.790
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.732
local terms energy: -84.435199
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -9.484
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: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -124.251177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.251177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.251177 (E_RNA)
where:
Base-Base interactions energy: -49.792
where: short stacking energy: -46.993
Base-Backbone interact. energy: -0.587
local terms energy: -73.872398
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -141.086319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.086319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.086319 (E_RNA)
where:
Base-Base interactions energy: -64.446
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.403
local terms energy: -76.237517
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -431.071436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.071436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.071436 (E_RNA)
where:
Base-Base interactions energy: -310.382
where: short stacking energy: -126.151
Base-Backbone interact. energy: -0.028
local terms energy: -120.661580
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -39.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -377.875196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.875196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.875196 (E_RNA)
where:
Base-Base interactions energy: -263.497
where: short stacking energy: -108.889
Base-Backbone interact. energy: 0.835
local terms energy: -115.213158
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -27.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -352.661738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.661738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.661738 (E_RNA)
where:
Base-Base interactions energy: -247.586
where: short stacking energy: -104.838
Base-Backbone interact. energy: 0.812
local terms energy: -105.887280
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -28.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -367.672607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.672607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.672607 (E_RNA)
where:
Base-Base interactions energy: -256.392
where: short stacking energy: -110.423
Base-Backbone interact. energy: -0.049
local terms energy: -111.231987
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -30.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -328.107023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.107023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.107023 (E_RNA)
where:
Base-Base interactions energy: -226.616
where: short stacking energy: -83.954
Base-Backbone interact. energy: 1.831
local terms energy: -103.322188
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -309.132794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.132794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.132794 (E_RNA)
where:
Base-Base interactions energy: -206.576
where: short stacking energy: -88.782
Base-Backbone interact. energy: -0.455
local terms energy: -102.101655
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -230.381952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.381952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.381952 (E_RNA)
where:
Base-Base interactions energy: -134.122
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.463
local terms energy: -95.797318
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -224.955093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.955093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.955093 (E_RNA)
where:
Base-Base interactions energy: -136.743
where: short stacking energy: -53.413
Base-Backbone interact. energy: -0.315
local terms energy: -87.897100
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -123.271889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.271889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.271889 (E_RNA)
where:
Base-Base interactions energy: -44.136
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.300
local terms energy: -78.836151
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -13.992
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: 2
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -124.092779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.092779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.092779 (E_RNA)
where:
Base-Base interactions energy: -48.193
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.202
local terms energy: -75.698632
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -424.642769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.642769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.642769 (E_RNA)
where:
Base-Base interactions energy: -302.069
where: short stacking energy: -120.557
Base-Backbone interact. energy: -0.509
local terms energy: -122.064013
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -26.589
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -36.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -384.578831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.578831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.578831 (E_RNA)
where:
Base-Base interactions energy: -266.426
where: short stacking energy: -117.518
Base-Backbone interact. energy: -0.690
local terms energy: -117.462315
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -28.696
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: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -372.846681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.846681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.846681 (E_RNA)
where:
Base-Base interactions energy: -257.429
where: short stacking energy: -109.773
Base-Backbone interact. energy: -1.359
local terms energy: -114.059171
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -30.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -355.120142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.120142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.120142 (E_RNA)
where:
Base-Base interactions energy: -242.106
where: short stacking energy: -105.497
Base-Backbone interact. energy: -0.600
local terms energy: -112.413631
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -30.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -353.292270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.292270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.292270 (E_RNA)
where:
Base-Base interactions energy: -246.598
where: short stacking energy: -98.860
Base-Backbone interact. energy: -0.013
local terms energy: -106.680495
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -25.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -223.686930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.686930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.686930 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -76.016
Base-Backbone interact. energy: 1.470
local terms energy: -86.800555
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -298.509854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.509854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.509854 (E_RNA)
where:
Base-Base interactions energy: -203.066
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.458
local terms energy: -94.985604
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -17.406
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: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -234.363792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.363792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.363792 (E_RNA)
where:
Base-Base interactions energy: -132.244
where: short stacking energy: -76.720
Base-Backbone interact. energy: -0.372
local terms energy: -101.747991
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -12.593
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: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -162.860216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.860216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.860216 (E_RNA)
where:
Base-Base interactions energy: -96.445
where: short stacking energy: -52.821
Base-Backbone interact. energy: 1.647
local terms energy: -68.062014
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.142
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: 10, replica: 2
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -114.417203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.417203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.417203 (E_RNA)
where:
Base-Base interactions energy: -45.575
where: short stacking energy: -30.309
Base-Backbone interact. energy: -0.407
local terms energy: -68.435808
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -421.360597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.360597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.360597 (E_RNA)
where:
Base-Base interactions energy: -298.039
where: short stacking energy: -124.787
Base-Backbone interact. energy: -0.021
local terms energy: -123.301107
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -38.143
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: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -401.662949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.662949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.662949 (E_RNA)
where:
Base-Base interactions energy: -281.467
where: short stacking energy: -114.769
Base-Backbone interact. energy: -1.966
local terms energy: -118.230176
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -31.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -358.160711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.160711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.160711 (E_RNA)
where:
Base-Base interactions energy: -242.055
where: short stacking energy: -107.039
Base-Backbone interact. energy: -0.046
local terms energy: -116.060536
where:
bonds (distance) C4'-P energy: -23.359
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -29.220
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: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -344.729467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.729467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.729467 (E_RNA)
where:
Base-Base interactions energy: -229.147
where: short stacking energy: -101.709
Base-Backbone interact. energy: 0.405
local terms energy: -115.987720
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -25.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -354.724212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.724212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.724212 (E_RNA)
where:
Base-Base interactions energy: -251.598
where: short stacking energy: -96.713
Base-Backbone interact. energy: -1.026
local terms energy: -102.100328
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -24.393
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: 236
Temperature: 1.150000
Total energy: -246.184115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.184115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.184115 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -90.783
Base-Backbone interact. energy: -0.122
local terms energy: -97.715947
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -306.959034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.959034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.959034 (E_RNA)
where:
Base-Base interactions energy: -214.530
where: short stacking energy: -91.347
Base-Backbone interact. energy: 0.761
local terms energy: -93.190112
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -228.640716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.640716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.640716 (E_RNA)
where:
Base-Base interactions energy: -131.317
where: short stacking energy: -68.032
Base-Backbone interact. energy: 0.074
local terms energy: -97.397254
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -174.551113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.551113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.551113 (E_RNA)
where:
Base-Base interactions energy: -95.663
where: short stacking energy: -42.231
Base-Backbone interact. energy: -0.603
local terms energy: -78.284288
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -118.829942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.829942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.829942 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -47.435
Base-Backbone interact. energy: -0.327
local terms energy: -71.067618
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -423.115402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.115402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.115402 (E_RNA)
where:
Base-Base interactions energy: -298.371
where: short stacking energy: -123.529
Base-Backbone interact. energy: 0.415
local terms energy: -125.159308
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -39.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -396.252113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.252113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.252113 (E_RNA)
where:
Base-Base interactions energy: -284.388
where: short stacking energy: -117.136
Base-Backbone interact. energy: 0.652
local terms energy: -112.516531
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -32.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -345.660839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.660839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.660839 (E_RNA)
where:
Base-Base interactions energy: -232.855
where: short stacking energy: -102.483
Base-Backbone interact. energy: -1.044
local terms energy: -111.762742
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -27.212
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: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -368.848339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.848339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.848339 (E_RNA)
where:
Base-Base interactions energy: -254.641
where: short stacking energy: -105.726
Base-Backbone interact. energy: -0.553
local terms energy: -113.654259
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -29.940
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: 9
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -339.977066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.977066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.977066 (E_RNA)
where:
Base-Base interactions energy: -243.383
where: short stacking energy: -102.258
Base-Backbone interact. energy: -1.091
local terms energy: -95.503432
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -282.860307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.860307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.860307 (E_RNA)
where:
Base-Base interactions energy: -185.675
where: short stacking energy: -88.885
Base-Backbone interact. energy: -0.573
local terms energy: -96.612614
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -24.433
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: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -241.155816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.155816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.155816 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -66.565
Base-Backbone interact. energy: -0.025
local terms energy: -94.604894
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -209.701360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.701360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.701360 (E_RNA)
where:
Base-Base interactions energy: -136.678
where: short stacking energy: -79.758
Base-Backbone interact. energy: -0.140
local terms energy: -72.883638
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -13.351
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: 237
Temperature: 1.300000
Total energy: -120.431324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.431324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.431324 (E_RNA)
where:
Base-Base interactions energy: -49.566
where: short stacking energy: -45.400
Base-Backbone interact. energy: -0.370
local terms energy: -70.495888
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -8.466
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: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -113.852834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.852834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.852834 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -36.731
Base-Backbone interact. energy: 0.292
local terms energy: -74.848906
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -427.092994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.092994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.092994 (E_RNA)
where:
Base-Base interactions energy: -309.380
where: short stacking energy: -123.793
Base-Backbone interact. energy: -0.009
local terms energy: -117.703743
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -38.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -389.460249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.460249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.460249 (E_RNA)
where:
Base-Base interactions energy: -274.063
where: short stacking energy: -109.700
Base-Backbone interact. energy: -0.194
local terms energy: -115.203968
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -27.457
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -31.104
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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -368.825961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.825961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.825961 (E_RNA)
where:
Base-Base interactions energy: -248.568
where: short stacking energy: -104.955
Base-Backbone interact. energy: -0.127
local terms energy: -120.131434
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -29.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -332.277903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.277903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.277903 (E_RNA)
where:
Base-Base interactions energy: -224.862
where: short stacking energy: -91.688
Base-Backbone interact. energy: -0.554
local terms energy: -106.862717
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -305.835183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.835183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.835183 (E_RNA)
where:
Base-Base interactions energy: -207.880
where: short stacking energy: -86.793
Base-Backbone interact. energy: -0.083
local terms energy: -97.872100
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -12.911
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: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -318.212873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.212873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.212873 (E_RNA)
where:
Base-Base interactions energy: -213.820
where: short stacking energy: -82.511
Base-Backbone interact. energy: -0.618
local terms energy: -103.774819
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -24.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -219.149036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.149036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.149036 (E_RNA)
where:
Base-Base interactions energy: -128.149
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.305
local terms energy: -90.695198
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -238.070745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.070745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.070745 (E_RNA)
where:
Base-Base interactions energy: -158.808
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.158
local terms energy: -79.105012
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -120.747476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.747476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.747476 (E_RNA)
where:
Base-Base interactions energy: -38.037
where: short stacking energy: -38.037
Base-Backbone interact. energy: 0.007
local terms energy: -82.717521
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -126.459401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.459401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.459401 (E_RNA)
where:
Base-Base interactions energy: -48.750
where: short stacking energy: -47.054
Base-Backbone interact. energy: -0.291
local terms energy: -77.418314
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -429.474682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.474682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.474682 (E_RNA)
where:
Base-Base interactions energy: -304.327
where: short stacking energy: -124.347
Base-Backbone interact. energy: -0.046
local terms energy: -125.101456
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -40.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -374.932840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.932840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.932840 (E_RNA)
where:
Base-Base interactions energy: -256.908
where: short stacking energy: -107.734
Base-Backbone interact. energy: -0.807
local terms energy: -117.218659
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -31.336
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: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -376.548896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.548896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.548896 (E_RNA)
where:
Base-Base interactions energy: -272.963
where: short stacking energy: -109.378
Base-Backbone interact. energy: 1.732
local terms energy: -105.318003
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -28.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -307.456422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.456422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.456422 (E_RNA)
where:
Base-Base interactions energy: -215.856
where: short stacking energy: -98.466
Base-Backbone interact. energy: -0.375
local terms energy: -91.224794
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -321.434366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.434366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.434366 (E_RNA)
where:
Base-Base interactions energy: -209.726
where: short stacking energy: -87.555
Base-Backbone interact. energy: -0.290
local terms energy: -111.417877
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -22.438
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: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -287.487381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.487381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.487381 (E_RNA)
where:
Base-Base interactions energy: -187.535
where: short stacking energy: -77.705
Base-Backbone interact. energy: -0.311
local terms energy: -99.641424
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -19.992
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -220.848515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.848515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.848515 (E_RNA)
where:
Base-Base interactions energy: -141.333
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.673
local terms energy: -78.843043
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -15.230
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: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -174.729461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.729461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.729461 (E_RNA)
where:
Base-Base interactions energy: -104.260
where: short stacking energy: -52.272
Base-Backbone interact. energy: 0.326
local terms energy: -70.795404
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -131.483746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.483746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.483746 (E_RNA)
where:
Base-Base interactions energy: -61.948
where: short stacking energy: -44.827
Base-Backbone interact. energy: -0.136
local terms energy: -69.399548
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -134.192818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.192818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.192818 (E_RNA)
where:
Base-Base interactions energy: -71.060
where: short stacking energy: -35.564
Base-Backbone interact. energy: 1.354
local terms energy: -64.486903
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -422.985913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.985913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.985913 (E_RNA)
where:
Base-Base interactions energy: -306.043
where: short stacking energy: -125.102
Base-Backbone interact. energy: -1.168
local terms energy: -115.774328
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -39.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -373.453975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.453975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.453975 (E_RNA)
where:
Base-Base interactions energy: -258.939
where: short stacking energy: -100.928
Base-Backbone interact. energy: -0.165
local terms energy: -114.350515
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -25.968
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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -379.840953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.840953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.840953 (E_RNA)
where:
Base-Base interactions energy: -270.454
where: short stacking energy: -106.398
Base-Backbone interact. energy: 1.582
local terms energy: -110.969078
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -27.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -318.055866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.055866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.055866 (E_RNA)
where:
Base-Base interactions energy: -210.079
where: short stacking energy: -103.552
Base-Backbone interact. energy: -0.114
local terms energy: -107.863631
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -24.345
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: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -297.826837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.826837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.826837 (E_RNA)
where:
Base-Base interactions energy: -198.226
where: short stacking energy: -90.179
Base-Backbone interact. energy: -0.162
local terms energy: -99.438854
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -22.507
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: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -324.598192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.598192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.598192 (E_RNA)
where:
Base-Base interactions energy: -222.891
where: short stacking energy: -80.548
Base-Backbone interact. energy: -0.394
local terms energy: -101.313181
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -11.919
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: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -228.059200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.059200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.059200 (E_RNA)
where:
Base-Base interactions energy: -136.256
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.054
local terms energy: -91.749071
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -15.620
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: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -149.365153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.365153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.365153 (E_RNA)
where:
Base-Base interactions energy: -68.505
where: short stacking energy: -41.487
Base-Backbone interact. energy: -0.601
local terms energy: -80.259078
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -132.416323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.416323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.416323 (E_RNA)
where:
Base-Base interactions energy: -46.811
where: short stacking energy: -40.447
Base-Backbone interact. energy: -0.158
local terms energy: -85.447539
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -22.520
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -123.661965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.661965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.661965 (E_RNA)
where:
Base-Base interactions energy: -47.883
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.577
local terms energy: -75.202574
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -3.014
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: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -421.899453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.899453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.899453 (E_RNA)
where:
Base-Base interactions energy: -308.477
where: short stacking energy: -124.186
Base-Backbone interact. energy: -0.015
local terms energy: -113.406695
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -35.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -374.194646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.194646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.194646 (E_RNA)
where:
Base-Base interactions energy: -263.377
where: short stacking energy: -107.704
Base-Backbone interact. energy: 2.210
local terms energy: -113.028117
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -390.849560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.849560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.849560 (E_RNA)
where:
Base-Base interactions energy: -278.786
where: short stacking energy: -107.866
Base-Backbone interact. energy: -0.650
local terms energy: -111.412778
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -32.413
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: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -314.725289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.725289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.725289 (E_RNA)
where:
Base-Base interactions energy: -209.947
where: short stacking energy: -85.366
Base-Backbone interact. energy: -0.561
local terms energy: -104.217010
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -17.202
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: 241
Temperature: 1.100000
Total energy: -308.348446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.348446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.348446 (E_RNA)
where:
Base-Base interactions energy: -206.924
where: short stacking energy: -95.133
Base-Backbone interact. energy: 0.382
local terms energy: -101.806289
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -12.836
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: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -321.858140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.858140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.858140 (E_RNA)
where:
Base-Base interactions energy: -209.957
where: short stacking energy: -90.320
Base-Backbone interact. energy: -0.190
local terms energy: -111.711284
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -29.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -238.034691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.034691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.034691 (E_RNA)
where:
Base-Base interactions energy: -148.951
where: short stacking energy: -76.054
Base-Backbone interact. energy: -0.251
local terms energy: -88.832859
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -155.168799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.168799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.168799 (E_RNA)
where:
Base-Base interactions energy: -91.143
where: short stacking energy: -50.560
Base-Backbone interact. energy: 1.719
local terms energy: -65.744132
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -1.363
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: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -139.602099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.602099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.602099 (E_RNA)
where:
Base-Base interactions energy: -71.157
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.413
local terms energy: -68.032214
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -130.794073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.794073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.794073 (E_RNA)
where:
Base-Base interactions energy: -56.915
where: short stacking energy: -43.325
Base-Backbone interact. energy: -0.551
local terms energy: -73.327633
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -431.172715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.172715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.172715 (E_RNA)
where:
Base-Base interactions energy: -307.653
where: short stacking energy: -124.190
Base-Backbone interact. energy: -0.032
local terms energy: -123.487329
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -35.649
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: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -379.777139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.777139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.777139 (E_RNA)
where:
Base-Base interactions energy: -267.167
where: short stacking energy: -109.691
Base-Backbone interact. energy: -0.884
local terms energy: -111.726553
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -28.010
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: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -382.985201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.985201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.985201 (E_RNA)
where:
Base-Base interactions energy: -270.687
where: short stacking energy: -108.493
Base-Backbone interact. energy: -0.409
local terms energy: -111.889274
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -30.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -344.916359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.916359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.916359 (E_RNA)
where:
Base-Base interactions energy: -228.939
where: short stacking energy: -97.984
Base-Backbone interact. energy: -0.853
local terms energy: -115.124212
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -28.108
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: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -317.410354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.410354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.410354 (E_RNA)
where:
Base-Base interactions energy: -215.704
where: short stacking energy: -91.906
Base-Backbone interact. energy: -0.105
local terms energy: -101.601066
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -26.936
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -20.213
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: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -299.977801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.977801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.977801 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -83.582
Base-Backbone interact. energy: -0.509
local terms energy: -108.004530
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -23.221
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: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -232.327926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.327926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.327926 (E_RNA)
where:
Base-Base interactions energy: -134.912
where: short stacking energy: -69.592
Base-Backbone interact. energy: 0.459
local terms energy: -97.875214
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -158.064301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.064301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.064301 (E_RNA)
where:
Base-Base interactions energy: -86.729
where: short stacking energy: -51.113
Base-Backbone interact. energy: -0.949
local terms energy: -70.386317
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -5.896
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: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -112.496952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.496952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.496952 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -36.100
Base-Backbone interact. energy: 2.964
local terms energy: -75.238258
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -173.779684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.779684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.779684 (E_RNA)
where:
Base-Base interactions energy: -87.589
where: short stacking energy: -53.751
Base-Backbone interact. energy: -0.398
local terms energy: -85.792985
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -433.854833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.854833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.854833 (E_RNA)
where:
Base-Base interactions energy: -311.600
where: short stacking energy: -126.789
Base-Backbone interact. energy: -0.653
local terms energy: -121.601786
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -36.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -383.184115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.184115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.184115 (E_RNA)
where:
Base-Base interactions energy: -265.599
where: short stacking energy: -111.804
Base-Backbone interact. energy: 0.479
local terms energy: -118.063875
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -30.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -377.059421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.059421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.059421 (E_RNA)
where:
Base-Base interactions energy: -276.580
where: short stacking energy: -106.884
Base-Backbone interact. energy: 1.549
local terms energy: -102.028908
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -322.964630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.964630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.964630 (E_RNA)
where:
Base-Base interactions energy: -214.993
where: short stacking energy: -93.673
Base-Backbone interact. energy: -0.147
local terms energy: -107.824243
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -341.983827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.983827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.983827 (E_RNA)
where:
Base-Base interactions energy: -241.786
where: short stacking energy: -101.553
Base-Backbone interact. energy: 0.385
local terms energy: -100.582826
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -23.183
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: 243
Temperature: 1.150000
Total energy: -244.057474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.057474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.057474 (E_RNA)
where:
Base-Base interactions energy: -151.858
where: short stacking energy: -73.759
Base-Backbone interact. energy: 0.643
local terms energy: -92.842344
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -281.257493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.257493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.257493 (E_RNA)
where:
Base-Base interactions energy: -180.514
where: short stacking energy: -80.291
Base-Backbone interact. energy: -0.565
local terms energy: -100.179047
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -17.764
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: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -172.961594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.961594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.961594 (E_RNA)
where:
Base-Base interactions energy: -98.629
where: short stacking energy: -62.855
Base-Backbone interact. energy: -0.621
local terms energy: -73.710886
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -10.438
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: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -123.132556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.132556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.132556 (E_RNA)
where:
Base-Base interactions energy: -54.595
where: short stacking energy: -49.011
Base-Backbone interact. energy: 0.233
local terms energy: -68.771163
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -111.161213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.161213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.161213 (E_RNA)
where:
Base-Base interactions energy: -55.415
where: short stacking energy: -34.554
Base-Backbone interact. energy: -0.173
local terms energy: -55.573915
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: 7.713
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: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -434.087941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.087941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.087941 (E_RNA)
where:
Base-Base interactions energy: -306.875
where: short stacking energy: -118.671
Base-Backbone interact. energy: -0.342
local terms energy: -126.871551
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -37.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -368.715591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.715591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.715591 (E_RNA)
where:
Base-Base interactions energy: -250.428
where: short stacking energy: -109.284
Base-Backbone interact. energy: 1.232
local terms energy: -119.519271
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -26.135
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: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -369.043244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.043244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.043244 (E_RNA)
where:
Base-Base interactions energy: -258.295
where: short stacking energy: -104.491
Base-Backbone interact. energy: -0.505
local terms energy: -110.243459
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -340.061870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.061870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.061870 (E_RNA)
where:
Base-Base interactions energy: -222.273
where: short stacking energy: -96.146
Base-Backbone interact. energy: -0.528
local terms energy: -117.261131
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -306.702271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.702271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.702271 (E_RNA)
where:
Base-Base interactions energy: -212.821
where: short stacking energy: -94.506
Base-Backbone interact. energy: -0.433
local terms energy: -93.448036
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -26.517
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: 244
Temperature: 1.150000
Total energy: -273.087328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.087328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.087328 (E_RNA)
where:
Base-Base interactions energy: -172.764
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.464
local terms energy: -99.859930
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -301.785428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.785428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.785428 (E_RNA)
where:
Base-Base interactions energy: -184.605
where: short stacking energy: -88.434
Base-Backbone interact. energy: 2.390
local terms energy: -119.570584
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -122.992858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.992858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.992858 (E_RNA)
where:
Base-Base interactions energy: -56.640
where: short stacking energy: -38.851
Base-Backbone interact. energy: -0.300
local terms energy: -66.052680
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -123.167393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.167393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.167393 (E_RNA)
where:
Base-Base interactions energy: -53.403
where: short stacking energy: -51.106
Base-Backbone interact. energy: -0.095
local terms energy: -69.670068
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -10.565
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: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -113.825473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.825473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.825473 (E_RNA)
where:
Base-Base interactions energy: -42.494
where: short stacking energy: -42.488
Base-Backbone interact. energy: -0.389
local terms energy: -70.942872
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -427.239137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.239137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.239137 (E_RNA)
where:
Base-Base interactions energy: -303.324
where: short stacking energy: -123.014
Base-Backbone interact. energy: -0.379
local terms energy: -123.535799
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -38.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -386.067964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.067964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.067964 (E_RNA)
where:
Base-Base interactions energy: -267.321
where: short stacking energy: -107.489
Base-Backbone interact. energy: -0.448
local terms energy: -118.298439
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -29.008
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: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -361.217901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.217901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.217901 (E_RNA)
where:
Base-Base interactions energy: -249.667
where: short stacking energy: -98.863
Base-Backbone interact. energy: -1.096
local terms energy: -110.455138
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -28.122
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -327.810939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.810939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.810939 (E_RNA)
where:
Base-Base interactions energy: -232.398
where: short stacking energy: -100.844
Base-Backbone interact. energy: -0.650
local terms energy: -94.763361
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -312.144825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.144825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.144825 (E_RNA)
where:
Base-Base interactions energy: -210.438
where: short stacking energy: -89.195
Base-Backbone interact. energy: -0.306
local terms energy: -101.400487
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -298.215464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.215464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.215464 (E_RNA)
where:
Base-Base interactions energy: -193.070
where: short stacking energy: -72.765
Base-Backbone interact. energy: -0.911
local terms energy: -104.234888
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -15.542
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: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -253.046780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.046780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.046780 (E_RNA)
where:
Base-Base interactions energy: -166.519
where: short stacking energy: -82.609
Base-Backbone interact. energy: 0.289
local terms energy: -86.816154
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -149.001750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.001750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.001750 (E_RNA)
where:
Base-Base interactions energy: -66.720
where: short stacking energy: -46.838
Base-Backbone interact. energy: -0.222
local terms energy: -82.060168
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -10.146
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: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -108.624835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.624835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.624835 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -35.783
Base-Backbone interact. energy: -0.238
local terms energy: -71.001903
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -121.570095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.570095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.570095 (E_RNA)
where:
Base-Base interactions energy: -52.185
where: short stacking energy: -45.165
Base-Backbone interact. energy: -0.553
local terms energy: -68.832215
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -424.429404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.429404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.429404 (E_RNA)
where:
Base-Base interactions energy: -304.298
where: short stacking energy: -122.408
Base-Backbone interact. energy: -0.217
local terms energy: -119.914776
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -37.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -388.301432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.301432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.301432 (E_RNA)
where:
Base-Base interactions energy: -265.155
where: short stacking energy: -106.790
Base-Backbone interact. energy: -0.464
local terms energy: -122.683142
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -29.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -357.939027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.939027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.939027 (E_RNA)
where:
Base-Base interactions energy: -247.607
where: short stacking energy: -100.433
Base-Backbone interact. energy: -0.882
local terms energy: -109.450562
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -27.466
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: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -332.499220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.499220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.499220 (E_RNA)
where:
Base-Base interactions energy: -223.694
where: short stacking energy: -94.990
Base-Backbone interact. energy: -1.034
local terms energy: -107.771550
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -322.580628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.580628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.580628 (E_RNA)
where:
Base-Base interactions energy: -224.021
where: short stacking energy: -104.611
Base-Backbone interact. energy: 0.269
local terms energy: -98.828730
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -304.404971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.404971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.404971 (E_RNA)
where:
Base-Base interactions energy: -206.125
where: short stacking energy: -91.919
Base-Backbone interact. energy: -0.983
local terms energy: -97.296988
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -235.262872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.262872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.262872 (E_RNA)
where:
Base-Base interactions energy: -138.773
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.131
local terms energy: -96.358838
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -204.222940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222940 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -66.087
Base-Backbone interact. energy: 3.259
local terms energy: -74.329981
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.272
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: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -155.676126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.676126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.676126 (E_RNA)
where:
Base-Base interactions energy: -79.087
where: short stacking energy: -52.693
Base-Backbone interact. energy: 0.228
local terms energy: -76.817136
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -112.234882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.234882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.234882 (E_RNA)
where:
Base-Base interactions energy: -48.176
where: short stacking energy: -32.543
Base-Backbone interact. energy: -0.280
local terms energy: -63.778773
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -8.844
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: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -428.675673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.675673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.675673 (E_RNA)
where:
Base-Base interactions energy: -301.418
where: short stacking energy: -118.938
Base-Backbone interact. energy: -0.001
local terms energy: -127.256672
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -37.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -380.943589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.943589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.943589 (E_RNA)
where:
Base-Base interactions energy: -268.347
where: short stacking energy: -114.412
Base-Backbone interact. energy: -0.261
local terms energy: -112.335898
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -362.461084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.461084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.461084 (E_RNA)
where:
Base-Base interactions energy: -240.549
where: short stacking energy: -91.088
Base-Backbone interact. energy: -0.262
local terms energy: -121.650476
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -25.399
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: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -325.747064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.747064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.747064 (E_RNA)
where:
Base-Base interactions energy: -216.629
where: short stacking energy: -98.126
Base-Backbone interact. energy: -1.103
local terms energy: -108.015269
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -28.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -327.018648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.018648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.018648 (E_RNA)
where:
Base-Base interactions energy: -225.442
where: short stacking energy: -102.606
Base-Backbone interact. energy: -0.547
local terms energy: -101.029990
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -27.246
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: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -307.862772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.862772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.862772 (E_RNA)
where:
Base-Base interactions energy: -206.899
where: short stacking energy: -84.190
Base-Backbone interact. energy: 1.204
local terms energy: -102.167197
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -24.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -234.674658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.674658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.674658 (E_RNA)
where:
Base-Base interactions energy: -143.482
where: short stacking energy: -73.299
Base-Backbone interact. energy: -0.058
local terms energy: -91.134369
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -233.151915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.151915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.151915 (E_RNA)
where:
Base-Base interactions energy: -136.260
where: short stacking energy: -67.639
Base-Backbone interact. energy: -0.876
local terms energy: -96.015865
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -17.971
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: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -162.007480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.007480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.007480 (E_RNA)
where:
Base-Base interactions energy: -85.656
where: short stacking energy: -50.492
Base-Backbone interact. energy: 1.061
local terms energy: -77.412552
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -7.116
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: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -113.376816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.376816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.376816 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.272
local terms energy: -76.096842
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -417.774556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.774556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.774556 (E_RNA)
where:
Base-Base interactions energy: -289.157
where: short stacking energy: -112.093
Base-Backbone interact. energy: -0.041
local terms energy: -128.576220
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -39.432
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: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -383.235311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.235311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.235311 (E_RNA)
where:
Base-Base interactions energy: -270.524
where: short stacking energy: -109.837
Base-Backbone interact. energy: -0.435
local terms energy: -112.275891
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -28.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -366.753758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.753758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.753758 (E_RNA)
where:
Base-Base interactions energy: -253.701
where: short stacking energy: -99.646
Base-Backbone interact. energy: -0.481
local terms energy: -112.572108
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -25.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -330.883540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.883540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.883540 (E_RNA)
where:
Base-Base interactions energy: -218.474
where: short stacking energy: -102.197
Base-Backbone interact. energy: -0.957
local terms energy: -111.452370
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -30.546
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: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -322.332312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.332312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.332312 (E_RNA)
where:
Base-Base interactions energy: -223.143
where: short stacking energy: -96.227
Base-Backbone interact. energy: -0.099
local terms energy: -99.090514
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -296.952504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.952504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.952504 (E_RNA)
where:
Base-Base interactions energy: -197.935
where: short stacking energy: -91.616
Base-Backbone interact. energy: 0.428
local terms energy: -99.446341
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -19.343
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: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -223.738347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.738347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.738347 (E_RNA)
where:
Base-Base interactions energy: -144.054
where: short stacking energy: -77.306
Base-Backbone interact. energy: -0.164
local terms energy: -79.520355
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -223.155117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.155117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.155117 (E_RNA)
where:
Base-Base interactions energy: -125.940
where: short stacking energy: -72.082
Base-Backbone interact. energy: -0.471
local terms energy: -96.744267
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -188.688829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.688829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.688829 (E_RNA)
where:
Base-Base interactions energy: -112.218
where: short stacking energy: -64.141
Base-Backbone interact. energy: 0.964
local terms energy: -77.435590
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -123.918076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.918076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.918076 (E_RNA)
where:
Base-Base interactions energy: -49.483
where: short stacking energy: -43.872
Base-Backbone interact. energy: -0.171
local terms energy: -74.264197
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -413.292468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.292468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.292468 (E_RNA)
where:
Base-Base interactions energy: -293.692
where: short stacking energy: -118.917
Base-Backbone interact. energy: 0.187
local terms energy: -119.787574
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -35.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -383.785263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.785263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.785263 (E_RNA)
where:
Base-Base interactions energy: -268.187
where: short stacking energy: -100.916
Base-Backbone interact. energy: -0.329
local terms energy: -115.269788
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -372.636114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.636114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.636114 (E_RNA)
where:
Base-Base interactions energy: -260.337
where: short stacking energy: -104.746
Base-Backbone interact. energy: -0.876
local terms energy: -111.423193
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -28.650
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: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -347.481491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.481491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.481491 (E_RNA)
where:
Base-Base interactions energy: -237.753
where: short stacking energy: -107.749
Base-Backbone interact. energy: 0.917
local terms energy: -110.645626
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -29.685
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: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -318.285099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.285099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.285099 (E_RNA)
where:
Base-Base interactions energy: -223.689
where: short stacking energy: -96.094
Base-Backbone interact. energy: 0.215
local terms energy: -94.810999
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -25.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -307.869400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.869400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.869400 (E_RNA)
where:
Base-Base interactions energy: -217.257
where: short stacking energy: -89.952
Base-Backbone interact. energy: -0.362
local terms energy: -90.250982
where:
bonds (distance) C4'-P energy: -24.517
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -23.844
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: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -244.697879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.697879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.697879 (E_RNA)
where:
Base-Base interactions energy: -150.470
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.235
local terms energy: -93.992607
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -18.165
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: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -213.364133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.364133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.364133 (E_RNA)
where:
Base-Base interactions energy: -129.882
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.141
local terms energy: -83.341165
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -11.131
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: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -172.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.477198 (E_RNA)
where:
Base-Base interactions energy: -96.606
where: short stacking energy: -40.567
Base-Backbone interact. energy: -0.180
local terms energy: -75.691909
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -9.170
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: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -117.758555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.758555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.758555 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -23.310
Base-Backbone interact. energy: -0.367
local terms energy: -74.023588
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -409.810319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.810319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.810319 (E_RNA)
where:
Base-Base interactions energy: -284.795
where: short stacking energy: -114.892
Base-Backbone interact. energy: -0.032
local terms energy: -124.983780
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -35.879
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: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -386.388349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.388349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.388349 (E_RNA)
where:
Base-Base interactions energy: -266.804
where: short stacking energy: -96.772
Base-Backbone interact. energy: -1.098
local terms energy: -118.486111
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -29.110
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -28.569
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: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -341.261232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.261232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.261232 (E_RNA)
where:
Base-Base interactions energy: -224.421
where: short stacking energy: -95.333
Base-Backbone interact. energy: -0.275
local terms energy: -116.564746
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -358.001049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.001049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.001049 (E_RNA)
where:
Base-Base interactions energy: -248.176
where: short stacking energy: -101.594
Base-Backbone interact. energy: -0.108
local terms energy: -109.717395
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -17.343
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: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -322.134607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.134607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.134607 (E_RNA)
where:
Base-Base interactions energy: -217.966
where: short stacking energy: -96.804
Base-Backbone interact. energy: -1.344
local terms energy: -102.824452
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -300.949865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.949865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.949865 (E_RNA)
where:
Base-Base interactions energy: -191.836
where: short stacking energy: -94.958
Base-Backbone interact. energy: -0.409
local terms energy: -108.705163
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -24.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -230.342867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.342867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.342867 (E_RNA)
where:
Base-Base interactions energy: -145.741
where: short stacking energy: -83.989
Base-Backbone interact. energy: 0.012
local terms energy: -84.614455
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -17.558
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: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -205.952018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.952018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.952018 (E_RNA)
where:
Base-Base interactions energy: -137.408
where: short stacking energy: -69.570
Base-Backbone interact. energy: -0.320
local terms energy: -68.223346
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -9.600
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: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -116.657805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.657805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.657805 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -31.173
Base-Backbone interact. energy: -0.702
local terms energy: -73.125537
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -119.533128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.533128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.533128 (E_RNA)
where:
Base-Base interactions energy: -49.000
where: short stacking energy: -43.699
Base-Backbone interact. energy: -0.212
local terms energy: -70.321237
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -411.746628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.746628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.746628 (E_RNA)
where:
Base-Base interactions energy: -281.590
where: short stacking energy: -115.803
Base-Backbone interact. energy: -0.594
local terms energy: -129.562360
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -28.111
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -37.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -398.546542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.546542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.546542 (E_RNA)
where:
Base-Base interactions energy: -281.295
where: short stacking energy: -113.211
Base-Backbone interact. energy: -0.604
local terms energy: -116.648047
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -31.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -354.130875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.130875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.130875 (E_RNA)
where:
Base-Base interactions energy: -248.452
where: short stacking energy: -103.527
Base-Backbone interact. energy: 3.171
local terms energy: -108.849555
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -367.871830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.871830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.871830 (E_RNA)
where:
Base-Base interactions energy: -253.845
where: short stacking energy: -105.567
Base-Backbone interact. energy: -0.730
local terms energy: -113.296813
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -25.806
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -25.568
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: 251
Temperature: 1.100000
Total energy: -338.334467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.334467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.334467 (E_RNA)
where:
Base-Base interactions energy: -223.394
where: short stacking energy: -95.965
Base-Backbone interact. energy: -0.128
local terms energy: -114.812758
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -27.162
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: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -295.162200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.162200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.162200 (E_RNA)
where:
Base-Base interactions energy: -189.616
where: short stacking energy: -78.972
Base-Backbone interact. energy: -0.019
local terms energy: -105.527765
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -248.421663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.421663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.421663 (E_RNA)
where:
Base-Base interactions energy: -158.326
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.917
local terms energy: -89.178803
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -195.174715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.174715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.174715 (E_RNA)
where:
Base-Base interactions energy: -126.475
where: short stacking energy: -62.510
Base-Backbone interact. energy: 0.707
local terms energy: -69.407071
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -122.722735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.722735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.722735 (E_RNA)
where:
Base-Base interactions energy: -46.099
where: short stacking energy: -44.916
Base-Backbone interact. energy: -0.047
local terms energy: -76.577164
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -7.214
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: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -108.118344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.118344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.118344 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -36.920
Base-Backbone interact. energy: -0.282
local terms energy: -63.666413
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -394.097141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.097141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.097141 (E_RNA)
where:
Base-Base interactions energy: -273.906
where: short stacking energy: -111.551
Base-Backbone interact. energy: -1.540
local terms energy: -118.650804
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -32.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -408.377910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.377910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.377910 (E_RNA)
where:
Base-Base interactions energy: -281.078
where: short stacking energy: -113.836
Base-Backbone interact. energy: 0.064
local terms energy: -127.363760
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -356.003785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.003785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.003785 (E_RNA)
where:
Base-Base interactions energy: -242.646
where: short stacking energy: -101.898
Base-Backbone interact. energy: -0.134
local terms energy: -113.224151
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -26.595
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: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -362.266149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.266149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.266149 (E_RNA)
where:
Base-Base interactions energy: -249.688
where: short stacking energy: -98.098
Base-Backbone interact. energy: 1.527
local terms energy: -114.105350
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -25.345
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: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -328.175983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.175983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.175983 (E_RNA)
where:
Base-Base interactions energy: -213.692
where: short stacking energy: -98.351
Base-Backbone interact. energy: -0.565
local terms energy: -113.919015
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -308.245925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.245925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.245925 (E_RNA)
where:
Base-Base interactions energy: -214.228
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.328
local terms energy: -93.689766
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -222.906063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.906063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.906063 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -82.586
Base-Backbone interact. energy: 1.059
local terms energy: -78.859778
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -224.293536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.293536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.293536 (E_RNA)
where:
Base-Base interactions energy: -131.362
where: short stacking energy: -63.523
Base-Backbone interact. energy: 0.281
local terms energy: -93.212973
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -125.269760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.269760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.269760 (E_RNA)
where:
Base-Base interactions energy: -52.419
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.739
local terms energy: -72.111875
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -109.037401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.037401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.037401 (E_RNA)
where:
Base-Base interactions energy: -44.094
where: short stacking energy: -34.550
Base-Backbone interact. energy: 0.421
local terms energy: -65.364359
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: 2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -387.547390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.547390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.547390 (E_RNA)
where:
Base-Base interactions energy: -272.359
where: short stacking energy: -102.107
Base-Backbone interact. energy: -1.117
local terms energy: -114.071843
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -19.892
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -404.771868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.771868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.771868 (E_RNA)
where:
Base-Base interactions energy: -281.210
where: short stacking energy: -115.691
Base-Backbone interact. energy: -0.020
local terms energy: -123.541405
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -34.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -347.796892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.796892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.796892 (E_RNA)
where:
Base-Base interactions energy: -238.846
where: short stacking energy: -104.819
Base-Backbone interact. energy: -0.042
local terms energy: -108.908563
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -27.247
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: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -359.967717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.967717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.967717 (E_RNA)
where:
Base-Base interactions energy: -255.073
where: short stacking energy: -104.832
Base-Backbone interact. energy: 0.355
local terms energy: -105.250072
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -308.530587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.530587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.530587 (E_RNA)
where:
Base-Base interactions energy: -210.358
where: short stacking energy: -84.001
Base-Backbone interact. energy: 1.511
local terms energy: -99.683165
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -308.158398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.158398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.158398 (E_RNA)
where:
Base-Base interactions energy: -211.229
where: short stacking energy: -75.702
Base-Backbone interact. energy: -1.107
local terms energy: -95.822455
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -211.690767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.690767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.690767 (E_RNA)
where:
Base-Base interactions energy: -129.435
where: short stacking energy: -72.201
Base-Backbone interact. energy: 0.346
local terms energy: -82.602518
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -233.457903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.457903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.457903 (E_RNA)
where:
Base-Base interactions energy: -140.905
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.464
local terms energy: -92.088823
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -123.952410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.952410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.952410 (E_RNA)
where:
Base-Base interactions energy: -45.103
where: short stacking energy: -40.371
Base-Backbone interact. energy: -0.334
local terms energy: -78.515166
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -102.024992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.024992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.024992 (E_RNA)
where:
Base-Base interactions energy: -41.503
where: short stacking energy: -23.359
Base-Backbone interact. energy: -0.331
local terms energy: -60.191052
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -10.806
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: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -422.479851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.479851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.479851 (E_RNA)
where:
Base-Base interactions energy: -294.207
where: short stacking energy: -119.614
Base-Backbone interact. energy: -0.100
local terms energy: -128.172133
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -39.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -387.885144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.885144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.885144 (E_RNA)
where:
Base-Base interactions energy: -278.574
where: short stacking energy: -112.776
Base-Backbone interact. energy: -0.172
local terms energy: -109.138819
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -27.936
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: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -371.677663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.677663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.677663 (E_RNA)
where:
Base-Base interactions energy: -252.468
where: short stacking energy: -103.683
Base-Backbone interact. energy: -0.309
local terms energy: -118.900251
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -28.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -336.434647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.434647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.434647 (E_RNA)
where:
Base-Base interactions energy: -232.689
where: short stacking energy: -90.060
Base-Backbone interact. energy: -0.230
local terms energy: -103.515598
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -25.901
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: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -320.645933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.645933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.645933 (E_RNA)
where:
Base-Base interactions energy: -207.383
where: short stacking energy: -95.099
Base-Backbone interact. energy: -0.671
local terms energy: -112.592743
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -311.013892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.013892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.013892 (E_RNA)
where:
Base-Base interactions energy: -203.457
where: short stacking energy: -93.712
Base-Backbone interact. energy: 2.009
local terms energy: -109.565775
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -25.839
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: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -251.430709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.430709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.430709 (E_RNA)
where:
Base-Base interactions energy: -152.138
where: short stacking energy: -77.326
Base-Backbone interact. energy: -0.326
local terms energy: -98.966143
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -199.348812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.348812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.348812 (E_RNA)
where:
Base-Base interactions energy: -120.797
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.189
local terms energy: -78.362572
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -14.924
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: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -123.396705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.396705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.396705 (E_RNA)
where:
Base-Base interactions energy: -49.008
where: short stacking energy: -49.008
Base-Backbone interact. energy: -0.101
local terms energy: -74.287397
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -111.609548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.609548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.609548 (E_RNA)
where:
Base-Base interactions energy: -41.923
where: short stacking energy: -29.346
Base-Backbone interact. energy: -0.392
local terms energy: -69.294600
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -411.888694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.888694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.888694 (E_RNA)
where:
Base-Base interactions energy: -281.607
where: short stacking energy: -115.108
Base-Backbone interact. energy: -0.395
local terms energy: -129.886899
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -38.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -380.314819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.314819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.314819 (E_RNA)
where:
Base-Base interactions energy: -262.477
where: short stacking energy: -101.060
Base-Backbone interact. energy: -0.707
local terms energy: -117.130633
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -384.927184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.927184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.927184 (E_RNA)
where:
Base-Base interactions energy: -278.575
where: short stacking energy: -111.724
Base-Backbone interact. energy: -1.063
local terms energy: -105.289065
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -27.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -313.679382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.679382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.679382 (E_RNA)
where:
Base-Base interactions energy: -210.012
where: short stacking energy: -95.684
Base-Backbone interact. energy: -0.497
local terms energy: -103.170805
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -25.135
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -24.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -298.604488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.604488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.604488 (E_RNA)
where:
Base-Base interactions energy: -195.671
where: short stacking energy: -99.176
Base-Backbone interact. energy: -0.524
local terms energy: -102.409652
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -313.733728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.733728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.733728 (E_RNA)
where:
Base-Base interactions energy: -206.752
where: short stacking energy: -83.162
Base-Backbone interact. energy: -0.860
local terms energy: -106.121042
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -17.238
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: 255
Temperature: 1.200000
Total energy: -255.947867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.947867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.947867 (E_RNA)
where:
Base-Base interactions energy: -168.514
where: short stacking energy: -88.786
Base-Backbone interact. energy: -1.133
local terms energy: -86.301279
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -251.241329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.241329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.241329 (E_RNA)
where:
Base-Base interactions energy: -169.440
where: short stacking energy: -72.991
Base-Backbone interact. energy: 0.492
local terms energy: -82.293193
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -14.300
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: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -118.488225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.488225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.488225 (E_RNA)
where:
Base-Base interactions energy: -43.930
where: short stacking energy: -43.930
Base-Backbone interact. energy: -0.335
local terms energy: -74.223178
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: 2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -101.963757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.963757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.963757 (E_RNA)
where:
Base-Base interactions energy: -36.184
where: short stacking energy: -21.639
Base-Backbone interact. energy: -0.175
local terms energy: -65.604932
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: 6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -392.710551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.710551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.710551 (E_RNA)
where:
Base-Base interactions energy: -268.615
where: short stacking energy: -118.976
Base-Backbone interact. energy: -0.597
local terms energy: -123.498108
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -34.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -413.241858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.241858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.241858 (E_RNA)
where:
Base-Base interactions energy: -280.446
where: short stacking energy: -111.820
Base-Backbone interact. energy: -0.212
local terms energy: -132.583106
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -36.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -378.604210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.604210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.604210 (E_RNA)
where:
Base-Base interactions energy: -260.577
where: short stacking energy: -105.992
Base-Backbone interact. energy: 0.443
local terms energy: -118.469794
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -33.519
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: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -333.735826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.735826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.735826 (E_RNA)
where:
Base-Base interactions energy: -232.701
where: short stacking energy: -95.931
Base-Backbone interact. energy: -0.830
local terms energy: -100.205397
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -320.490604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.490604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.490604 (E_RNA)
where:
Base-Base interactions energy: -212.430
where: short stacking energy: -101.391
Base-Backbone interact. energy: -0.492
local terms energy: -107.569145
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -30.126
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: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -307.614433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.614433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.614433 (E_RNA)
where:
Base-Base interactions energy: -211.811
where: short stacking energy: -98.774
Base-Backbone interact. energy: -1.190
local terms energy: -94.613508
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -215.730491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.730491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.730491 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -59.735
Base-Backbone interact. energy: 0.157
local terms energy: -75.048918
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -241.450837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.450837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.450837 (E_RNA)
where:
Base-Base interactions energy: -149.278
where: short stacking energy: -75.124
Base-Backbone interact. energy: -0.205
local terms energy: -91.967189
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -19.942
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: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -121.404722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.404722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.404722 (E_RNA)
where:
Base-Base interactions energy: -56.963
where: short stacking energy: -33.562
Base-Backbone interact. energy: -0.035
local terms energy: -64.406449
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -14.058
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: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -126.498576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.498576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.498576 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -46.805
Base-Backbone interact. energy: -0.098
local terms energy: -79.595460
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -9.663
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: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -379.715236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.715236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.715236 (E_RNA)
where:
Base-Base interactions energy: -268.010
where: short stacking energy: -115.528
Base-Backbone interact. energy: -0.895
local terms energy: -110.810803
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -28.060
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: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -412.831379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.831379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.831379 (E_RNA)
where:
Base-Base interactions energy: -294.477
where: short stacking energy: -111.767
Base-Backbone interact. energy: -0.001
local terms energy: -118.353041
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -38.622
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -377.296707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.296707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.296707 (E_RNA)
where:
Base-Base interactions energy: -269.441
where: short stacking energy: -108.533
Base-Backbone interact. energy: 1.869
local terms energy: -109.725340
where:
bonds (distance) C4'-P energy: -25.263
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -29.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -342.637634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.637634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.637634 (E_RNA)
where:
Base-Base interactions energy: -238.127
where: short stacking energy: -96.816
Base-Backbone interact. energy: -1.124
local terms energy: -103.387285
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -21.770
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: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -300.000876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.000876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.000876 (E_RNA)
where:
Base-Base interactions energy: -206.868
where: short stacking energy: -86.019
Base-Backbone interact. energy: 1.166
local terms energy: -94.298597
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -311.459664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.459664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.459664 (E_RNA)
where:
Base-Base interactions energy: -201.713
where: short stacking energy: -106.057
Base-Backbone interact. energy: 0.022
local terms energy: -109.769045
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -229.914553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.914553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.914553 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -65.720
Base-Backbone interact. energy: 0.718
local terms energy: -83.587590
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -18.111
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: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -215.406383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.406383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.406383 (E_RNA)
where:
Base-Base interactions energy: -132.960
where: short stacking energy: -66.318
Base-Backbone interact. energy: 1.338
local terms energy: -83.784409
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -125.082180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.082180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.082180 (E_RNA)
where:
Base-Base interactions energy: -47.653
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.473
local terms energy: -76.956475
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -123.082560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.082560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.082560 (E_RNA)
where:
Base-Base interactions energy: -47.688
where: short stacking energy: -37.957
Base-Backbone interact. energy: 2.571
local terms energy: -77.964674
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -2.064
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: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -420.893201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.893201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.893201 (E_RNA)
where:
Base-Base interactions energy: -290.453
where: short stacking energy: -118.580
Base-Backbone interact. energy: -0.074
local terms energy: -130.366022
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -38.251
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: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -374.507623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.507623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.507623 (E_RNA)
where:
Base-Base interactions energy: -258.449
where: short stacking energy: -107.569
Base-Backbone interact. energy: -0.499
local terms energy: -115.559534
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -393.190317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.190317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.190317 (E_RNA)
where:
Base-Base interactions energy: -288.003
where: short stacking energy: -115.702
Base-Backbone interact. energy: -0.172
local terms energy: -105.015358
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -31.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -344.880430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.880430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.880430 (E_RNA)
where:
Base-Base interactions energy: -240.178
where: short stacking energy: -86.327
Base-Backbone interact. energy: -0.892
local terms energy: -103.810176
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -10.778
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: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -311.865602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.865602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.865602 (E_RNA)
where:
Base-Base interactions energy: -200.160
where: short stacking energy: -89.775
Base-Backbone interact. energy: -0.198
local terms energy: -111.508023
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -16.718
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: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -330.200077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.200077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.200077 (E_RNA)
where:
Base-Base interactions energy: -232.130
where: short stacking energy: -101.906
Base-Backbone interact. energy: -0.815
local terms energy: -97.255603
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -233.381252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.381252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.381252 (E_RNA)
where:
Base-Base interactions energy: -144.712
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.775
local terms energy: -87.894039
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -224.852076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.852076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.852076 (E_RNA)
where:
Base-Base interactions energy: -138.561
where: short stacking energy: -62.472
Base-Backbone interact. energy: -0.253
local terms energy: -86.037818
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -15.410
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: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -122.587138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.587138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.587138 (E_RNA)
where:
Base-Base interactions energy: -49.101
where: short stacking energy: -44.506
Base-Backbone interact. energy: 1.352
local terms energy: -74.838737
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -118.336925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.336925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.336925 (E_RNA)
where:
Base-Base interactions energy: -53.519
where: short stacking energy: -42.104
Base-Backbone interact. energy: -0.102
local terms energy: -64.715743
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -1.747
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: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -423.597544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.597544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.597544 (E_RNA)
where:
Base-Base interactions energy: -291.476
where: short stacking energy: -116.796
Base-Backbone interact. energy: -0.594
local terms energy: -131.527331
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -24.693
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -37.231
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: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -389.837818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.837818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.837818 (E_RNA)
where:
Base-Base interactions energy: -272.963
where: short stacking energy: -114.946
Base-Backbone interact. energy: -0.498
local terms energy: -116.376048
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -28.207
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: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -370.871805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.871805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.871805 (E_RNA)
where:
Base-Base interactions energy: -256.049
where: short stacking energy: -100.602
Base-Backbone interact. energy: 0.314
local terms energy: -115.137150
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -30.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -344.659843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.659843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.659843 (E_RNA)
where:
Base-Base interactions energy: -244.752
where: short stacking energy: -95.696
Base-Backbone interact. energy: -1.070
local terms energy: -98.837034
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -16.543
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: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -302.880300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.880300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.880300 (E_RNA)
where:
Base-Base interactions energy: -194.179
where: short stacking energy: -85.919
Base-Backbone interact. energy: -0.867
local terms energy: -107.834719
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -301.323953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.323953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.323953 (E_RNA)
where:
Base-Base interactions energy: -210.559
where: short stacking energy: -85.268
Base-Backbone interact. energy: -0.426
local terms energy: -90.339539
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -229.771056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.771056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.771056 (E_RNA)
where:
Base-Base interactions energy: -140.273
where: short stacking energy: -78.098
Base-Backbone interact. energy: -0.519
local terms energy: -88.979554
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -14.491
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: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -236.490740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.490740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.490740 (E_RNA)
where:
Base-Base interactions energy: -138.592
where: short stacking energy: -77.535
Base-Backbone interact. energy: -0.011
local terms energy: -97.887437
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -23.311
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: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -116.982476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.982476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.982476 (E_RNA)
where:
Base-Base interactions energy: -43.866
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.309
local terms energy: -72.807209
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -113.937271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.937271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.937271 (E_RNA)
where:
Base-Base interactions energy: -41.814
where: short stacking energy: -40.195
Base-Backbone interact. energy: 0.163
local terms energy: -72.286450
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -6.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -427.160024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.160024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.160024 (E_RNA)
where:
Base-Base interactions energy: -304.164
where: short stacking energy: -124.788
Base-Backbone interact. energy: 0.281
local terms energy: -123.276663
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -36.509
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: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -400.808150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.808150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.808150 (E_RNA)
where:
Base-Base interactions energy: -279.312
where: short stacking energy: -105.460
Base-Backbone interact. energy: -0.586
local terms energy: -120.909391
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -331.843980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.843980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.843980 (E_RNA)
where:
Base-Base interactions energy: -226.371
where: short stacking energy: -100.472
Base-Backbone interact. energy: -0.442
local terms energy: -105.031718
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -356.061141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.061141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.061141 (E_RNA)
where:
Base-Base interactions energy: -244.028
where: short stacking energy: -92.033
Base-Backbone interact. energy: -0.411
local terms energy: -111.622214
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -308.215282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.215282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.215282 (E_RNA)
where:
Base-Base interactions energy: -197.298
where: short stacking energy: -90.013
Base-Backbone interact. energy: 2.205
local terms energy: -113.122275
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -303.338275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.338275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.338275 (E_RNA)
where:
Base-Base interactions energy: -193.634
where: short stacking energy: -86.512
Base-Backbone interact. energy: -0.207
local terms energy: -109.497374
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -22.348
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: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -229.990778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.990778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.990778 (E_RNA)
where:
Base-Base interactions energy: -132.465
where: short stacking energy: -67.296
Base-Backbone interact. energy: 0.133
local terms energy: -97.659019
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -229.392670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.392670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.392670 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.621
local terms energy: -85.596056
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -16.015
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: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -118.508809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.508809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.508809 (E_RNA)
where:
Base-Base interactions energy: -48.249
where: short stacking energy: -41.153
Base-Backbone interact. energy: -0.024
local terms energy: -70.235836
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -147.063455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.063455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.063455 (E_RNA)
where:
Base-Base interactions energy: -74.368
where: short stacking energy: -40.409
Base-Backbone interact. energy: -0.214
local terms energy: -72.482063
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -9.914
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: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -428.290202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.290202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.290202 (E_RNA)
where:
Base-Base interactions energy: -310.601
where: short stacking energy: -129.788
Base-Backbone interact. energy: -0.095
local terms energy: -117.594883
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -37.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -396.912840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.912840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.912840 (E_RNA)
where:
Base-Base interactions energy: -282.906
where: short stacking energy: -105.121
Base-Backbone interact. energy: -1.186
local terms energy: -112.820610
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -338.849201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.849201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.849201 (E_RNA)
where:
Base-Base interactions energy: -230.189
where: short stacking energy: -91.906
Base-Backbone interact. energy: -0.507
local terms energy: -108.153729
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -361.085205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.085205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.085205 (E_RNA)
where:
Base-Base interactions energy: -246.197
where: short stacking energy: -100.539
Base-Backbone interact. energy: 1.013
local terms energy: -115.901526
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -25.492
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: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -310.138933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.138933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.138933 (E_RNA)
where:
Base-Base interactions energy: -213.761
where: short stacking energy: -95.912
Base-Backbone interact. energy: 0.305
local terms energy: -96.683160
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -24.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -307.481646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.481646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.481646 (E_RNA)
where:
Base-Base interactions energy: -210.453
where: short stacking energy: -96.759
Base-Backbone interact. energy: -0.990
local terms energy: -96.038625
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -182.154054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.154054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.154054 (E_RNA)
where:
Base-Base interactions energy: -111.873
where: short stacking energy: -51.755
Base-Backbone interact. energy: 0.604
local terms energy: -70.884215
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -6.688
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: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -222.873531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.873531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.873531 (E_RNA)
where:
Base-Base interactions energy: -134.334
where: short stacking energy: -63.168
Base-Backbone interact. energy: -0.487
local terms energy: -88.052526
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -14.561
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: 9, replica: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -119.802276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.802276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.802276 (E_RNA)
where:
Base-Base interactions energy: -52.211
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.397
local terms energy: -67.194591
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -182.385983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.385983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.385983 (E_RNA)
where:
Base-Base interactions energy: -107.369
where: short stacking energy: -53.014
Base-Backbone interact. energy: -0.241
local terms energy: -74.775391
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -17.045
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: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -429.760106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.760106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.760106 (E_RNA)
where:
Base-Base interactions energy: -299.840
where: short stacking energy: -128.388
Base-Backbone interact. energy: -0.879
local terms energy: -129.040620
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -27.203
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -34.685
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: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -393.876971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.876971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.876971 (E_RNA)
where:
Base-Base interactions energy: -285.687
where: short stacking energy: -114.144
Base-Backbone interact. energy: -0.835
local terms energy: -107.354954
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -32.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -367.474411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.474411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.474411 (E_RNA)
where:
Base-Base interactions energy: -256.855
where: short stacking energy: -112.381
Base-Backbone interact. energy: -0.170
local terms energy: -110.449448
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -31.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -333.301481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.301481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.301481 (E_RNA)
where:
Base-Base interactions energy: -230.152
where: short stacking energy: -99.195
Base-Backbone interact. energy: -0.198
local terms energy: -102.951683
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -314.949280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.949280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.949280 (E_RNA)
where:
Base-Base interactions energy: -209.048
where: short stacking energy: -91.278
Base-Backbone interact. energy: -1.698
local terms energy: -104.203515
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -22.077
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: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -314.727572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.727572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.727572 (E_RNA)
where:
Base-Base interactions energy: -213.566
where: short stacking energy: -94.465
Base-Backbone interact. energy: -0.704
local terms energy: -100.458067
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -203.771942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.771942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.771942 (E_RNA)
where:
Base-Base interactions energy: -128.061
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.601
local terms energy: -75.110195
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -197.445062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.445062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.445062 (E_RNA)
where:
Base-Base interactions energy: -114.770
where: short stacking energy: -58.975
Base-Backbone interact. energy: -1.091
local terms energy: -81.583824
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -120.853521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.853521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.853521 (E_RNA)
where:
Base-Base interactions energy: -50.894
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.334
local terms energy: -69.625626
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -1.747
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: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -122.237278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.237278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.237278 (E_RNA)
where:
Base-Base interactions energy: -43.057
where: short stacking energy: -35.890
Base-Backbone interact. energy: -0.297
local terms energy: -78.882620
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: 3.060
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: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -427.880836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.880836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.880836 (E_RNA)
where:
Base-Base interactions energy: -303.932
where: short stacking energy: -126.273
Base-Backbone interact. energy: -0.520
local terms energy: -123.429057
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -37.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -394.516395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.516395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.516395 (E_RNA)
where:
Base-Base interactions energy: -281.025
where: short stacking energy: -98.613
Base-Backbone interact. energy: -0.829
local terms energy: -112.662749
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -25.969
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -25.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -372.212688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.212688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.212688 (E_RNA)
where:
Base-Base interactions energy: -248.676
where: short stacking energy: -102.700
Base-Backbone interact. energy: -0.113
local terms energy: -123.424006
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -19.447
tors. eta vs tors. theta energy: -31.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -346.655945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.655945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.655945 (E_RNA)
where:
Base-Base interactions energy: -248.957
where: short stacking energy: -95.794
Base-Backbone interact. energy: -0.590
local terms energy: -97.108558
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -23.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -308.807585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.807585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.807585 (E_RNA)
where:
Base-Base interactions energy: -209.529
where: short stacking energy: -88.528
Base-Backbone interact. energy: -0.111
local terms energy: -99.166998
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -293.499461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.499461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.499461 (E_RNA)
where:
Base-Base interactions energy: -201.264
where: short stacking energy: -86.152
Base-Backbone interact. energy: -0.057
local terms energy: -92.178281
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -12.974
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: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -167.003135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.003135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.003135 (E_RNA)
where:
Base-Base interactions energy: -82.439
where: short stacking energy: -50.750
Base-Backbone interact. energy: 0.221
local terms energy: -84.785399
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -8.128
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: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -204.761775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.761775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.761775 (E_RNA)
where:
Base-Base interactions energy: -114.750
where: short stacking energy: -66.688
Base-Backbone interact. energy: -0.614
local terms energy: -89.398491
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -188.478694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.478694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478694 (E_RNA)
where:
Base-Base interactions energy: -103.195
where: short stacking energy: -56.959
Base-Backbone interact. energy: 1.002
local terms energy: -86.285050
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -8.741
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: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -139.877832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.877832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.877832 (E_RNA)
where:
Base-Base interactions energy: -74.111
where: short stacking energy: -39.548
Base-Backbone interact. energy: 1.788
local terms energy: -67.554133
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -429.099625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.099625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.099625 (E_RNA)
where:
Base-Base interactions energy: -304.173
where: short stacking energy: -123.329
Base-Backbone interact. energy: -0.055
local terms energy: -124.872094
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -36.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -395.928083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.928083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.928083 (E_RNA)
where:
Base-Base interactions energy: -277.805
where: short stacking energy: -105.596
Base-Backbone interact. energy: -0.784
local terms energy: -117.338715
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -357.286975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.286975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.286975 (E_RNA)
where:
Base-Base interactions energy: -255.295
where: short stacking energy: -105.869
Base-Backbone interact. energy: 0.072
local terms energy: -102.063715
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -26.456
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: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -362.663754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.663754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.663754 (E_RNA)
where:
Base-Base interactions energy: -250.377
where: short stacking energy: -100.580
Base-Backbone interact. energy: -0.025
local terms energy: -112.261166
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -29.128
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: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -318.720975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.720975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.720975 (E_RNA)
where:
Base-Base interactions energy: -213.284
where: short stacking energy: -96.760
Base-Backbone interact. energy: -0.008
local terms energy: -105.429292
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -287.593096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.593096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.593096 (E_RNA)
where:
Base-Base interactions energy: -202.866
where: short stacking energy: -86.073
Base-Backbone interact. energy: 3.778
local terms energy: -88.504973
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -226.506345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.506345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.506345 (E_RNA)
where:
Base-Base interactions energy: -139.361
where: short stacking energy: -80.404
Base-Backbone interact. energy: -0.286
local terms energy: -86.860012
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -212.208747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.208747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.208747 (E_RNA)
where:
Base-Base interactions energy: -122.018
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.124
local terms energy: -90.067231
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -14.986
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: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -129.813198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.813198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.813198 (E_RNA)
where:
Base-Base interactions energy: -49.311
where: short stacking energy: -47.960
Base-Backbone interact. energy: -0.019
local terms energy: -80.483395
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -155.161653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.161653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.161653 (E_RNA)
where:
Base-Base interactions energy: -84.722
where: short stacking energy: -47.912
Base-Backbone interact. energy: -0.666
local terms energy: -69.774388
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -427.780244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.780244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.780244 (E_RNA)
where:
Base-Base interactions energy: -302.125
where: short stacking energy: -120.316
Base-Backbone interact. energy: -0.293
local terms energy: -125.362456
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -26.019
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -37.203
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: 265
Temperature: 0.950000
Total energy: -391.010601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.010601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.010601 (E_RNA)
where:
Base-Base interactions energy: -276.022
where: short stacking energy: -95.888
Base-Backbone interact. energy: -0.371
local terms energy: -114.617114
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -28.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -347.831178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.831178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.831178 (E_RNA)
where:
Base-Base interactions energy: -238.505
where: short stacking energy: -97.575
Base-Backbone interact. energy: -2.233
local terms energy: -107.092657
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -12.802
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: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -304.699251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.699251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.699251 (E_RNA)
where:
Base-Base interactions energy: -207.904
where: short stacking energy: -89.635
Base-Backbone interact. energy: 0.468
local terms energy: -97.263623
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -20.296
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: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -334.676083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.676083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.676083 (E_RNA)
where:
Base-Base interactions energy: -228.572
where: short stacking energy: -91.915
Base-Backbone interact. energy: -0.699
local terms energy: -105.404371
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -24.903
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: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -292.470428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.470428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.470428 (E_RNA)
where:
Base-Base interactions energy: -190.012
where: short stacking energy: -93.709
Base-Backbone interact. energy: -0.266
local terms energy: -102.192132
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -16.637
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: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -206.945028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.945028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.945028 (E_RNA)
where:
Base-Base interactions energy: -118.133
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.944
local terms energy: -87.868244
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -213.196982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.196982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.196982 (E_RNA)
where:
Base-Base interactions energy: -112.310
where: short stacking energy: -62.737
Base-Backbone interact. energy: -0.248
local terms energy: -100.638895
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -123.870184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.870184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.870184 (E_RNA)
where:
Base-Base interactions energy: -54.119
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.046
local terms energy: -69.705077
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -115.532407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.532407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.532407 (E_RNA)
where:
Base-Base interactions energy: -49.766
where: short stacking energy: -38.067
Base-Backbone interact. energy: 0.149
local terms energy: -65.915553
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -415.828264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.828264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.828264 (E_RNA)
where:
Base-Base interactions energy: -294.253
where: short stacking energy: -112.027
Base-Backbone interact. energy: 0.484
local terms energy: -122.059292
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -36.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -413.378250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.378250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.378250 (E_RNA)
where:
Base-Base interactions energy: -296.051
where: short stacking energy: -103.669
Base-Backbone interact. energy: -0.494
local terms energy: -116.833116
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -31.569
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: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -348.215951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.215951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.215951 (E_RNA)
where:
Base-Base interactions energy: -249.678
where: short stacking energy: -98.081
Base-Backbone interact. energy: -0.359
local terms energy: -98.178704
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -326.461002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.461002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.461002 (E_RNA)
where:
Base-Base interactions energy: -214.427
where: short stacking energy: -101.599
Base-Backbone interact. energy: 0.206
local terms energy: -112.239128
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -328.701797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.701797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.701797 (E_RNA)
where:
Base-Base interactions energy: -223.245
where: short stacking energy: -84.667
Base-Backbone interact. energy: 1.519
local terms energy: -106.976326
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -301.508015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.508015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.508015 (E_RNA)
where:
Base-Base interactions energy: -199.620
where: short stacking energy: -90.788
Base-Backbone interact. energy: -0.523
local terms energy: -101.364427
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -236.573293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.573293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.573293 (E_RNA)
where:
Base-Base interactions energy: -141.356
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.545
local terms energy: -94.672378
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -217.099047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.099047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.099047 (E_RNA)
where:
Base-Base interactions energy: -130.255
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.325
local terms energy: -86.518833
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -12.694
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: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -131.589657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.589657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.589657 (E_RNA)
where:
Base-Base interactions energy: -53.658
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.143
local terms energy: -77.789087
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -25.824
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -122.943158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.943158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.943158 (E_RNA)
where:
Base-Base interactions energy: -43.873
where: short stacking energy: -41.737
Base-Backbone interact. energy: -0.161
local terms energy: -78.908928
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -424.879238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.879238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.879238 (E_RNA)
where:
Base-Base interactions energy: -305.635
where: short stacking energy: -130.231
Base-Backbone interact. energy: -0.002
local terms energy: -119.241517
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -39.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -398.299257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.299257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.299257 (E_RNA)
where:
Base-Base interactions energy: -287.148
where: short stacking energy: -109.898
Base-Backbone interact. energy: 1.436
local terms energy: -112.587369
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -26.114
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: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -348.767550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.767550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.767550 (E_RNA)
where:
Base-Base interactions energy: -239.625
where: short stacking energy: -92.529
Base-Backbone interact. energy: -0.614
local terms energy: -108.528929
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -20.350
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: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -322.656765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.656765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.656765 (E_RNA)
where:
Base-Base interactions energy: -216.341
where: short stacking energy: -104.759
Base-Backbone interact. energy: -0.220
local terms energy: -106.095312
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -315.631865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.631865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.631865 (E_RNA)
where:
Base-Base interactions energy: -222.777
where: short stacking energy: -80.572
Base-Backbone interact. energy: -0.159
local terms energy: -92.696033
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -9.607
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: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -326.965541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.965541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.965541 (E_RNA)
where:
Base-Base interactions energy: -233.244
where: short stacking energy: -80.242
Base-Backbone interact. energy: 0.481
local terms energy: -94.202169
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -240.713680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.713680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.713680 (E_RNA)
where:
Base-Base interactions energy: -151.175
where: short stacking energy: -79.110
Base-Backbone interact. energy: -0.971
local terms energy: -88.568085
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -200.951368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.951368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.951368 (E_RNA)
where:
Base-Base interactions energy: -107.787
where: short stacking energy: -58.895
Base-Backbone interact. energy: -0.376
local terms energy: -92.788010
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -17.238
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: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -127.715538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.715538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.715538 (E_RNA)
where:
Base-Base interactions energy: -46.833
where: short stacking energy: -45.234
Base-Backbone interact. energy: 0.472
local terms energy: -81.354022
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -15.591
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: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -116.635962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.635962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.635962 (E_RNA)
where:
Base-Base interactions energy: -42.311
where: short stacking energy: -28.630
Base-Backbone interact. energy: 0.487
local terms energy: -74.812655
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -409.298230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.298230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.298230 (E_RNA)
where:
Base-Base interactions energy: -296.977
where: short stacking energy: -109.882
Base-Backbone interact. energy: -0.621
local terms energy: -111.700956
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -29.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -413.100301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.100301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.100301 (E_RNA)
where:
Base-Base interactions energy: -286.949
where: short stacking energy: -117.620
Base-Backbone interact. energy: -0.051
local terms energy: -126.100800
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -37.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -319.351961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.351961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.351961 (E_RNA)
where:
Base-Base interactions energy: -214.334
where: short stacking energy: -94.347
Base-Backbone interact. energy: 0.340
local terms energy: -105.357081
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -339.060603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.060603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.060603 (E_RNA)
where:
Base-Base interactions energy: -237.878
where: short stacking energy: -93.716
Base-Backbone interact. energy: -0.585
local terms energy: -100.598003
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -316.058305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.058305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.058305 (E_RNA)
where:
Base-Base interactions energy: -215.050
where: short stacking energy: -92.587
Base-Backbone interact. energy: -0.338
local terms energy: -100.670960
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -27.483
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -26.797
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: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -317.922415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.922415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.922415 (E_RNA)
where:
Base-Base interactions energy: -224.296
where: short stacking energy: -86.225
Base-Backbone interact. energy: -0.323
local terms energy: -93.303418
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -230.700008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.700008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.700008 (E_RNA)
where:
Base-Base interactions energy: -140.062
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.740
local terms energy: -89.897462
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -212.016724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016724 (E_RNA)
where:
Base-Base interactions energy: -128.303
where: short stacking energy: -63.486
Base-Backbone interact. energy: -0.062
local terms energy: -83.651572
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -15.255
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: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -127.818675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.818675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.818675 (E_RNA)
where:
Base-Base interactions energy: -46.907
where: short stacking energy: -46.907
Base-Backbone interact. energy: 0.622
local terms energy: -81.533545
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -112.855578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.855578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.855578 (E_RNA)
where:
Base-Base interactions energy: -45.716
where: short stacking energy: -42.748
Base-Backbone interact. energy: 0.397
local terms energy: -67.535876
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -409.278450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.278450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.278450 (E_RNA)
where:
Base-Base interactions energy: -288.976
where: short stacking energy: -112.043
Base-Backbone interact. energy: -0.681
local terms energy: -119.621507
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -31.778
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: 269
Temperature: 0.950000
Total energy: -420.223507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.223507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.223507 (E_RNA)
where:
Base-Base interactions energy: -292.731
where: short stacking energy: -117.248
Base-Backbone interact. energy: 0.174
local terms energy: -127.666275
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -35.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -344.024109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.024109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.024109 (E_RNA)
where:
Base-Base interactions energy: -231.912
where: short stacking energy: -108.803
Base-Backbone interact. energy: -0.749
local terms energy: -111.362971
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -28.435
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: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -334.608506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.608506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.608506 (E_RNA)
where:
Base-Base interactions energy: -239.642
where: short stacking energy: -89.598
Base-Backbone interact. energy: -0.442
local terms energy: -94.524467
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -14.867
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: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -316.746813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.746813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.746813 (E_RNA)
where:
Base-Base interactions energy: -204.093
where: short stacking energy: -88.680
Base-Backbone interact. energy: 0.390
local terms energy: -113.043715
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -316.028059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.028059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.028059 (E_RNA)
where:
Base-Base interactions energy: -208.972
where: short stacking energy: -85.997
Base-Backbone interact. energy: -0.529
local terms energy: -106.527480
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -246.614195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.614195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.614195 (E_RNA)
where:
Base-Base interactions energy: -152.027
where: short stacking energy: -80.838
Base-Backbone interact. energy: -0.617
local terms energy: -93.970452
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -20.957
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: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -213.414284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.414284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.414284 (E_RNA)
where:
Base-Base interactions energy: -132.305
where: short stacking energy: -60.937
Base-Backbone interact. energy: 1.137
local terms energy: -82.246337
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -127.077167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.077167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.077167 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -42.132
Base-Backbone interact. energy: -1.261
local terms energy: -81.386810
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -2.991
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: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -115.784532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.784532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.784532 (E_RNA)
where:
Base-Base interactions energy: -52.898
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.523
local terms energy: -62.363820
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: 3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -413.433422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.433422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.433422 (E_RNA)
where:
Base-Base interactions energy: -280.865
where: short stacking energy: -116.187
Base-Backbone interact. energy: -0.635
local terms energy: -131.934038
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -28.579
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -34.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -403.226796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.226796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.226796 (E_RNA)
where:
Base-Base interactions energy: -292.052
where: short stacking energy: -115.378
Base-Backbone interact. energy: -1.125
local terms energy: -110.049932
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -28.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -354.333793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.333793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.333793 (E_RNA)
where:
Base-Base interactions energy: -246.950
where: short stacking energy: -102.445
Base-Backbone interact. energy: -0.324
local terms energy: -107.059934
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -320.630792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.630792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.630792 (E_RNA)
where:
Base-Base interactions energy: -221.614
where: short stacking energy: -91.297
Base-Backbone interact. energy: -0.159
local terms energy: -98.858069
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -294.931412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.931412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.931412 (E_RNA)
where:
Base-Base interactions energy: -186.616
where: short stacking energy: -87.132
Base-Backbone interact. energy: -0.032
local terms energy: -108.284288
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -21.251
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: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -300.071758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.071758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.071758 (E_RNA)
where:
Base-Base interactions energy: -197.377
where: short stacking energy: -85.838
Base-Backbone interact. energy: -0.442
local terms energy: -102.253448
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -24.114
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: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -255.022415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.022415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.022415 (E_RNA)
where:
Base-Base interactions energy: -153.297
where: short stacking energy: -74.650
Base-Backbone interact. energy: -0.196
local terms energy: -101.529543
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -199.131564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.131564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.131564 (E_RNA)
where:
Base-Base interactions energy: -123.703
where: short stacking energy: -54.390
Base-Backbone interact. energy: -0.256
local terms energy: -75.173122
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -138.470536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.470536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.470536 (E_RNA)
where:
Base-Base interactions energy: -59.693
where: short stacking energy: -29.009
Base-Backbone interact. energy: -0.234
local terms energy: -78.543220
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -120.789742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.789742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.789742 (E_RNA)
where:
Base-Base interactions energy: -44.750
where: short stacking energy: -38.920
Base-Backbone interact. energy: 0.478
local terms energy: -76.517999
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -414.709079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.709079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.709079 (E_RNA)
where:
Base-Base interactions energy: -290.936
where: short stacking energy: -113.719
Base-Backbone interact. energy: 0.350
local terms energy: -124.123531
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -37.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -396.581552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.581552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.581552 (E_RNA)
where:
Base-Base interactions energy: -282.414
where: short stacking energy: -110.110
Base-Backbone interact. energy: -0.705
local terms energy: -113.462435
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -30.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -355.188578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.188578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.188578 (E_RNA)
where:
Base-Base interactions energy: -247.199
where: short stacking energy: -95.066
Base-Backbone interact. energy: -0.889
local terms energy: -107.099955
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -318.742800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.742800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.742800 (E_RNA)
where:
Base-Base interactions energy: -212.508
where: short stacking energy: -95.936
Base-Backbone interact. energy: -0.445
local terms energy: -105.789672
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -23.707
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: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -288.065679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.065679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.065679 (E_RNA)
where:
Base-Base interactions energy: -177.876
where: short stacking energy: -88.807
Base-Backbone interact. energy: -0.082
local terms energy: -110.107540
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -27.492
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: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -312.144071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.144071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.144071 (E_RNA)
where:
Base-Base interactions energy: -213.445
where: short stacking energy: -94.956
Base-Backbone interact. energy: -0.146
local terms energy: -98.553308
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -288.768869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.768869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.768869 (E_RNA)
where:
Base-Base interactions energy: -202.280
where: short stacking energy: -80.431
Base-Backbone interact. energy: -0.230
local terms energy: -86.259371
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -21.612
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: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -223.700662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.700662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.700662 (E_RNA)
where:
Base-Base interactions energy: -138.652
where: short stacking energy: -57.957
Base-Backbone interact. energy: 0.235
local terms energy: -85.284216
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -144.739599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.739599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.739599 (E_RNA)
where:
Base-Base interactions energy: -64.355
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.495
local terms energy: -79.889711
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -13.382
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: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -145.879211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.879211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.879211 (E_RNA)
where:
Base-Base interactions energy: -85.449
where: short stacking energy: -41.840
Base-Backbone interact. energy: -0.031
local terms energy: -60.398930
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -0.953
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -399.177070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.177070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.177070 (E_RNA)
where:
Base-Base interactions energy: -286.099
where: short stacking energy: -116.694
Base-Backbone interact. energy: -0.144
local terms energy: -112.934546
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -30.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -418.006951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.006951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.006951 (E_RNA)
where:
Base-Base interactions energy: -290.522
where: short stacking energy: -122.597
Base-Backbone interact. energy: -0.215
local terms energy: -127.270565
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -35.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -362.629316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.629316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.629316 (E_RNA)
where:
Base-Base interactions energy: -258.890
where: short stacking energy: -100.257
Base-Backbone interact. energy: -0.129
local terms energy: -103.610903
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -27.130
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: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -335.940233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.940233 (E_RNA)
where:
Base-Base interactions energy: -232.021
where: short stacking energy: -88.801
Base-Backbone interact. energy: -0.332
local terms energy: -103.587069
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -20.414
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: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -335.122696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.122696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.122696 (E_RNA)
where:
Base-Base interactions energy: -217.694
where: short stacking energy: -88.940
Base-Backbone interact. energy: -0.419
local terms energy: -117.010130
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -28.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -302.408607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.408607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.408607 (E_RNA)
where:
Base-Base interactions energy: -202.489
where: short stacking energy: -87.508
Base-Backbone interact. energy: -0.067
local terms energy: -99.852469
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -22.534
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: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -189.304284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.304284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.304284 (E_RNA)
where:
Base-Base interactions energy: -108.911
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.756
local terms energy: -79.637666
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -8.609
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: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -255.448151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.448151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.448151 (E_RNA)
where:
Base-Base interactions energy: -157.362
where: short stacking energy: -86.340
Base-Backbone interact. energy: -0.001
local terms energy: -98.084807
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -186.396768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.396768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.396768 (E_RNA)
where:
Base-Base interactions energy: -111.752
where: short stacking energy: -56.742
Base-Backbone interact. energy: -0.729
local terms energy: -73.916267
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -2.958
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: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -135.397003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.397003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.397003 (E_RNA)
where:
Base-Base interactions energy: -66.744
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.240
local terms energy: -68.413302
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: 6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -389.568796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.568796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.568796 (E_RNA)
where:
Base-Base interactions energy: -264.897
where: short stacking energy: -108.498
Base-Backbone interact. energy: -0.760
local terms energy: -123.911565
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -410.492888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.492888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.492888 (E_RNA)
where:
Base-Base interactions energy: -292.473
where: short stacking energy: -121.325
Base-Backbone interact. energy: -0.281
local terms energy: -117.739074
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -35.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -361.259032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.259032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.259032 (E_RNA)
where:
Base-Base interactions energy: -247.099
where: short stacking energy: -100.693
Base-Backbone interact. energy: -0.744
local terms energy: -113.415678
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -31.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -344.669086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.669086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.669086 (E_RNA)
where:
Base-Base interactions energy: -233.227
where: short stacking energy: -96.335
Base-Backbone interact. energy: -1.469
local terms energy: -109.973083
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -25.389
flat angles P-C4'-P energy: -16.417
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: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -330.258758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.258758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.258758 (E_RNA)
where:
Base-Base interactions energy: -222.320
where: short stacking energy: -93.412
Base-Backbone interact. energy: -0.796
local terms energy: -107.142565
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -24.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -232.220759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.220759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.220759 (E_RNA)
where:
Base-Base interactions energy: -134.119
where: short stacking energy: -80.973
Base-Backbone interact. energy: 0.097
local terms energy: -98.199123
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -282.887806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.887806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.887806 (E_RNA)
where:
Base-Base interactions energy: -183.693
where: short stacking energy: -73.771
Base-Backbone interact. energy: -0.347
local terms energy: -98.848225
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -26.391
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -18.561
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: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -271.147965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.147965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.147965 (E_RNA)
where:
Base-Base interactions energy: -168.127
where: short stacking energy: -93.604
Base-Backbone interact. energy: -0.395
local terms energy: -102.625880
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -180.654797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.654797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.654797 (E_RNA)
where:
Base-Base interactions energy: -104.527
where: short stacking energy: -56.994
Base-Backbone interact. energy: -0.131
local terms energy: -75.997706
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -6.700
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: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -119.974444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.974444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.974444 (E_RNA)
where:
Base-Base interactions energy: -38.295
where: short stacking energy: -34.380
Base-Backbone interact. energy: -0.249
local terms energy: -81.430274
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -8.477
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: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -419.789919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.789919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.789919 (E_RNA)
where:
Base-Base interactions energy: -288.760
where: short stacking energy: -119.037
Base-Backbone interact. energy: -0.001
local terms energy: -131.028677
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: -32.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -384.518343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.518343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.518343 (E_RNA)
where:
Base-Base interactions energy: -269.482
where: short stacking energy: -109.448
Base-Backbone interact. energy: -0.071
local terms energy: -114.965926
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -25.862
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: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -351.368590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.368590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.368590 (E_RNA)
where:
Base-Base interactions energy: -240.712
where: short stacking energy: -93.967
Base-Backbone interact. energy: -0.290
local terms energy: -110.366971
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -347.532321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.532321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.532321 (E_RNA)
where:
Base-Base interactions energy: -241.499
where: short stacking energy: -94.323
Base-Backbone interact. energy: -0.255
local terms energy: -105.778920
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -25.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -336.134073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.134073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.134073 (E_RNA)
where:
Base-Base interactions energy: -219.715
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.932
local terms energy: -115.486953
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -218.970797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.970797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.970797 (E_RNA)
where:
Base-Base interactions energy: -131.411
where: short stacking energy: -68.389
Base-Backbone interact. energy: 3.336
local terms energy: -90.896225
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -309.324910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.324910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.324910 (E_RNA)
where:
Base-Base interactions energy: -204.968
where: short stacking energy: -92.407
Base-Backbone interact. energy: -0.388
local terms energy: -103.968362
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -222.506296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.506296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.506296 (E_RNA)
where:
Base-Base interactions energy: -117.432
where: short stacking energy: -69.978
Base-Backbone interact. energy: 0.562
local terms energy: -105.635930
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -18.792
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: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -192.479265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.479265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.479265 (E_RNA)
where:
Base-Base interactions energy: -115.241
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.141
local terms energy: -77.096947
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -134.406091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.406091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.406091 (E_RNA)
where:
Base-Base interactions energy: -54.388
where: short stacking energy: -37.372
Base-Backbone interact. energy: -0.918
local terms energy: -79.099434
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -410.577179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.577179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.577179 (E_RNA)
where:
Base-Base interactions energy: -294.109
where: short stacking energy: -119.154
Base-Backbone interact. energy: -0.003
local terms energy: -116.464959
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -32.253
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -388.142453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.142453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.142453 (E_RNA)
where:
Base-Base interactions energy: -266.419
where: short stacking energy: -102.954
Base-Backbone interact. energy: 0.658
local terms energy: -122.381339
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -27.092
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -352.793499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.793499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.793499 (E_RNA)
where:
Base-Base interactions energy: -239.660
where: short stacking energy: -92.699
Base-Backbone interact. energy: -0.193
local terms energy: -112.940099
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -341.954439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.954439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.954439 (E_RNA)
where:
Base-Base interactions energy: -236.091
where: short stacking energy: -104.290
Base-Backbone interact. energy: -0.589
local terms energy: -105.274683
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -31.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -337.916601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.916601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.916601 (E_RNA)
where:
Base-Base interactions energy: -238.682
where: short stacking energy: -96.047
Base-Backbone interact. energy: -0.627
local terms energy: -98.608192
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -7.604
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: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -291.334809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.334809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.334809 (E_RNA)
where:
Base-Base interactions energy: -196.827
where: short stacking energy: -87.580
Base-Backbone interact. energy: -0.271
local terms energy: -94.236398
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -202.625413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.625413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.625413 (E_RNA)
where:
Base-Base interactions energy: -114.960
where: short stacking energy: -63.509
Base-Backbone interact. energy: -0.077
local terms energy: -87.587744
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -15.356
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: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -227.976292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.976292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.976292 (E_RNA)
where:
Base-Base interactions energy: -155.302
where: short stacking energy: -64.398
Base-Backbone interact. energy: 0.607
local terms energy: -73.281915
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -144.708578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.708578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.708578 (E_RNA)
where:
Base-Base interactions energy: -71.100
where: short stacking energy: -46.160
Base-Backbone interact. energy: 0.445
local terms energy: -74.053747
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -16.124
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: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -113.437242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.437242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.437242 (E_RNA)
where:
Base-Base interactions energy: -33.371
where: short stacking energy: -26.111
Base-Backbone interact. energy: -0.195
local terms energy: -79.870775
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -12.132
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: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -420.378636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.378636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.378636 (E_RNA)
where:
Base-Base interactions energy: -294.807
where: short stacking energy: -124.400
Base-Backbone interact. energy: -0.008
local terms energy: -125.563955
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -32.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -376.892964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.892964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.892964 (E_RNA)
where:
Base-Base interactions energy: -256.144
where: short stacking energy: -100.239
Base-Backbone interact. energy: -0.366
local terms energy: -120.383395
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -28.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -359.426768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.426768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.426768 (E_RNA)
where:
Base-Base interactions energy: -244.552
where: short stacking energy: -107.202
Base-Backbone interact. energy: -0.041
local terms energy: -114.833711
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -25.235
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -27.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -356.125412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.125412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.125412 (E_RNA)
where:
Base-Base interactions energy: -242.508
where: short stacking energy: -96.252
Base-Backbone interact. energy: -0.035
local terms energy: -113.582522
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -23.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -302.359976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.359976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.359976 (E_RNA)
where:
Base-Base interactions energy: -205.351
where: short stacking energy: -78.581
Base-Backbone interact. energy: 0.943
local terms energy: -97.952403
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -339.731405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.731405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.731405 (E_RNA)
where:
Base-Base interactions energy: -228.733
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.048
local terms energy: -110.950378
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -28.117
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: 276
Temperature: 1.200000
Total energy: -221.521683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.521683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.521683 (E_RNA)
where:
Base-Base interactions energy: -130.575
where: short stacking energy: -73.548
Base-Backbone interact. energy: -0.251
local terms energy: -90.695440
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -200.125814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.125814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.125814 (E_RNA)
where:
Base-Base interactions energy: -112.553
where: short stacking energy: -62.806
Base-Backbone interact. energy: 0.152
local terms energy: -87.724905
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -10.732
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: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -176.586517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.586517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.586517 (E_RNA)
where:
Base-Base interactions energy: -103.829
where: short stacking energy: -58.814
Base-Backbone interact. energy: 2.116
local terms energy: -74.873768
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -148.900640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.900640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.900640 (E_RNA)
where:
Base-Base interactions energy: -82.465
where: short stacking energy: -42.928
Base-Backbone interact. energy: 0.455
local terms energy: -66.890708
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -8.567
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -412.996794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.996794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.996794 (E_RNA)
where:
Base-Base interactions energy: -290.054
where: short stacking energy: -119.892
Base-Backbone interact. energy: -0.012
local terms energy: -122.930816
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -33.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -398.515705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.515705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.515705 (E_RNA)
where:
Base-Base interactions energy: -277.835
where: short stacking energy: -110.540
Base-Backbone interact. energy: -0.531
local terms energy: -120.150069
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -27.650
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -30.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -352.240916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.240916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.240916 (E_RNA)
where:
Base-Base interactions energy: -243.293
where: short stacking energy: -101.062
Base-Backbone interact. energy: -0.052
local terms energy: -108.895350
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -358.406203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.406203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.406203 (E_RNA)
where:
Base-Base interactions energy: -256.476
where: short stacking energy: -100.930
Base-Backbone interact. energy: -0.340
local terms energy: -101.589659
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -307.640986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.640986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.640986 (E_RNA)
where:
Base-Base interactions energy: -201.140
where: short stacking energy: -88.538
Base-Backbone interact. energy: -0.567
local terms energy: -105.933987
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -25.718
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -21.586
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: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -296.672244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.672244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.672244 (E_RNA)
where:
Base-Base interactions energy: -204.830
where: short stacking energy: -78.750
Base-Backbone interact. energy: -1.088
local terms energy: -90.753510
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -242.243784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.243784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.243784 (E_RNA)
where:
Base-Base interactions energy: -150.089
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.653
local terms energy: -91.502029
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -8.788
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: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -189.333453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.333453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.333453 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.249
local terms energy: -85.214605
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -12.088
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: 277
Temperature: 1.300000
Total energy: -198.991342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.991342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.991342 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.245
local terms energy: -74.690034
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -120.577474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.577474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.577474 (E_RNA)
where:
Base-Base interactions energy: -43.295
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.227
local terms energy: -77.054781
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -406.409042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.409042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.409042 (E_RNA)
where:
Base-Base interactions energy: -291.037
where: short stacking energy: -110.109
Base-Backbone interact. energy: 0.916
local terms energy: -116.288031
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -29.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -407.475738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.475738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.475738 (E_RNA)
where:
Base-Base interactions energy: -283.013
where: short stacking energy: -116.586
Base-Backbone interact. energy: -0.002
local terms energy: -124.460610
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -38.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -360.315864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.315864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.315864 (E_RNA)
where:
Base-Base interactions energy: -243.160
where: short stacking energy: -106.143
Base-Backbone interact. energy: -0.239
local terms energy: -116.917519
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -32.542
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: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -322.607909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.607909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.607909 (E_RNA)
where:
Base-Base interactions energy: -214.510
where: short stacking energy: -85.776
Base-Backbone interact. energy: -0.225
local terms energy: -107.872460
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -303.748797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.748797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.748797 (E_RNA)
where:
Base-Base interactions energy: -199.072
where: short stacking energy: -81.409
Base-Backbone interact. energy: -0.269
local terms energy: -104.407857
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -295.953352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.953352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.953352 (E_RNA)
where:
Base-Base interactions energy: -192.919
where: short stacking energy: -78.621
Base-Backbone interact. energy: -0.642
local terms energy: -102.392102
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -231.978397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.978397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.978397 (E_RNA)
where:
Base-Base interactions energy: -138.963
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.029
local terms energy: -92.987116
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -207.453598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.453598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.453598 (E_RNA)
where:
Base-Base interactions energy: -114.498
where: short stacking energy: -58.462
Base-Backbone interact. energy: 2.231
local terms energy: -95.186662
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -11.318
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: 278
Temperature: 1.300000
Total energy: -201.288452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.288452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.288452 (E_RNA)
where:
Base-Base interactions energy: -113.358
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.199
local terms energy: -87.731360
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -19.108
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: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -121.328598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.328598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.328598 (E_RNA)
where:
Base-Base interactions energy: -55.598
where: short stacking energy: -52.560
Base-Backbone interact. energy: 1.279
local terms energy: -67.009924
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -400.185539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.185539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.185539 (E_RNA)
where:
Base-Base interactions energy: -286.751
where: short stacking energy: -112.892
Base-Backbone interact. energy: -1.020
local terms energy: -112.414725
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -29.520
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: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -407.745565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.745565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.745565 (E_RNA)
where:
Base-Base interactions energy: -279.936
where: short stacking energy: -108.607
Base-Backbone interact. energy: -0.285
local terms energy: -127.524261
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -38.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -372.065092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.065092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.065092 (E_RNA)
where:
Base-Base interactions energy: -255.944
where: short stacking energy: -113.111
Base-Backbone interact. energy: -1.017
local terms energy: -115.104174
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -33.399
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -335.750856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.750856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.750856 (E_RNA)
where:
Base-Base interactions energy: -230.120
where: short stacking energy: -103.668
Base-Backbone interact. energy: -2.371
local terms energy: -103.260566
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -28.835
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: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -347.654489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.654489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.654489 (E_RNA)
where:
Base-Base interactions energy: -247.246
where: short stacking energy: -85.807
Base-Backbone interact. energy: -0.400
local terms energy: -100.008112
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -304.484202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.484202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.484202 (E_RNA)
where:
Base-Base interactions energy: -209.203
where: short stacking energy: -88.512
Base-Backbone interact. energy: 1.928
local terms energy: -97.208935
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -11.332
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: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -235.337684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.337684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.337684 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.047
local terms energy: -98.310655
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -21.214
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: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -226.486716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.486716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.486716 (E_RNA)
where:
Base-Base interactions energy: -136.714
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.070
local terms energy: -89.702227
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -17.280
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: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -181.631770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.631770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.631770 (E_RNA)
where:
Base-Base interactions energy: -100.565
where: short stacking energy: -62.506
Base-Backbone interact. energy: -0.593
local terms energy: -80.474385
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -118.656316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.656316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.656316 (E_RNA)
where:
Base-Base interactions energy: -44.033
where: short stacking energy: -42.646
Base-Backbone interact. energy: -0.185
local terms energy: -74.437944
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -423.700657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.700657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.700657 (E_RNA)
where:
Base-Base interactions energy: -286.051
where: short stacking energy: -121.793
Base-Backbone interact. energy: -0.046
local terms energy: -137.603961
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -39.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -396.789582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.789582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.789582 (E_RNA)
where:
Base-Base interactions energy: -283.044
where: short stacking energy: -101.180
Base-Backbone interact. energy: 1.382
local terms energy: -115.127030
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -28.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -362.979733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.979733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.979733 (E_RNA)
where:
Base-Base interactions energy: -246.399
where: short stacking energy: -103.780
Base-Backbone interact. energy: -0.289
local terms energy: -116.291279
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -31.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -331.396871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.396871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.396871 (E_RNA)
where:
Base-Base interactions energy: -226.899
where: short stacking energy: -110.653
Base-Backbone interact. energy: -0.247
local terms energy: -104.251074
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -345.115920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.115920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.115920 (E_RNA)
where:
Base-Base interactions energy: -244.873
where: short stacking energy: -98.178
Base-Backbone interact. energy: -1.498
local terms energy: -98.744514
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -12.588
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: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -310.900045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.900045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.900045 (E_RNA)
where:
Base-Base interactions energy: -211.095
where: short stacking energy: -89.658
Base-Backbone interact. energy: -0.785
local terms energy: -99.020896
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -27.096
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: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -256.634303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.634303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.634303 (E_RNA)
where:
Base-Base interactions energy: -158.495
where: short stacking energy: -75.414
Base-Backbone interact. energy: -0.205
local terms energy: -97.934146
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -226.991816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.991816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.991816 (E_RNA)
where:
Base-Base interactions energy: -131.321
where: short stacking energy: -77.269
Base-Backbone interact. energy: -0.159
local terms energy: -95.512050
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -128.542486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.542486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.542486 (E_RNA)
where:
Base-Base interactions energy: -49.265
where: short stacking energy: -48.207
Base-Backbone interact. energy: -0.303
local terms energy: -78.974706
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -184.079525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.079525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.079525 (E_RNA)
where:
Base-Base interactions energy: -111.452
where: short stacking energy: -58.592
Base-Backbone interact. energy: 3.267
local terms energy: -75.894430
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -416.468573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.468573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.468573 (E_RNA)
where:
Base-Base interactions energy: -284.464
where: short stacking energy: -116.552
Base-Backbone interact. energy: -0.009
local terms energy: -131.995438
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -37.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -385.765950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.765950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.765950 (E_RNA)
where:
Base-Base interactions energy: -262.676
where: short stacking energy: -116.910
Base-Backbone interact. energy: -0.359
local terms energy: -122.731370
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -29.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -388.482906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.482906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.482906 (E_RNA)
where:
Base-Base interactions energy: -275.573
where: short stacking energy: -111.509
Base-Backbone interact. energy: 0.517
local terms energy: -113.427194
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -33.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -345.937866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.937866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.937866 (E_RNA)
where:
Base-Base interactions energy: -248.492
where: short stacking energy: -100.442
Base-Backbone interact. energy: -0.239
local terms energy: -97.206148
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -23.051
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -301.618769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.618769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.618769 (E_RNA)
where:
Base-Base interactions energy: -202.539
where: short stacking energy: -83.579
Base-Backbone interact. energy: -0.174
local terms energy: -98.905518
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -290.098922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.098922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.098922 (E_RNA)
where:
Base-Base interactions energy: -199.334
where: short stacking energy: -86.389
Base-Backbone interact. energy: 6.366
local terms energy: -97.130216
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -14.731
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: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -253.439167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.439167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.439167 (E_RNA)
where:
Base-Base interactions energy: -149.545
where: short stacking energy: -71.273
Base-Backbone interact. energy: -0.493
local terms energy: -103.401501
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -19.708
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: 281
Temperature: 1.250000
Total energy: -193.073625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.073625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.073625 (E_RNA)
where:
Base-Base interactions energy: -103.273
where: short stacking energy: -53.281
Base-Backbone interact. energy: 1.270
local terms energy: -91.071088
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -117.496292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.496292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.496292 (E_RNA)
where:
Base-Base interactions energy: -49.551
where: short stacking energy: -49.551
Base-Backbone interact. energy: -1.002
local terms energy: -66.943077
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -6.180
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: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -180.158575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.158575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.158575 (E_RNA)
where:
Base-Base interactions energy: -93.844
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.310
local terms energy: -86.004870
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -376.918680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.918680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.918680 (E_RNA)
where:
Base-Base interactions energy: -255.643
where: short stacking energy: -108.353
Base-Backbone interact. energy: -0.361
local terms energy: -120.914409
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -30.376
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -410.142439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.142439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.142439 (E_RNA)
where:
Base-Base interactions energy: -288.925
where: short stacking energy: -122.711
Base-Backbone interact. energy: -0.049
local terms energy: -121.168574
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -41.271
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: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -382.953049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.953049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.953049 (E_RNA)
where:
Base-Base interactions energy: -277.455
where: short stacking energy: -103.684
Base-Backbone interact. energy: -0.834
local terms energy: -104.664251
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -23.684
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: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -341.371074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.371074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.371074 (E_RNA)
where:
Base-Base interactions energy: -237.524
where: short stacking energy: -94.194
Base-Backbone interact. energy: -0.489
local terms energy: -103.357864
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -26.233
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: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -284.373613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.373613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.373613 (E_RNA)
where:
Base-Base interactions energy: -180.873
where: short stacking energy: -73.361
Base-Backbone interact. energy: -0.431
local terms energy: -103.070397
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -291.779580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.779580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.779580 (E_RNA)
where:
Base-Base interactions energy: -201.271
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.334
local terms energy: -90.174423
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -16.817
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: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -220.333286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.333286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.333286 (E_RNA)
where:
Base-Base interactions energy: -124.330
where: short stacking energy: -68.331
Base-Backbone interact. energy: -1.019
local terms energy: -94.984481
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -196.609945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.609945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.609945 (E_RNA)
where:
Base-Base interactions energy: -107.399
where: short stacking energy: -56.523
Base-Backbone interact. energy: -0.294
local terms energy: -88.916594
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -9.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -186.623226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.623226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.623226 (E_RNA)
where:
Base-Base interactions energy: -106.919
where: short stacking energy: -47.941
Base-Backbone interact. energy: -0.263
local terms energy: -79.441438
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -109.470003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470003 (E_RNA)
where:
Base-Base interactions energy: -34.644
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.302
local terms energy: -74.524776
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: 2.253
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: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -384.760107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.760107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.760107 (E_RNA)
where:
Base-Base interactions energy: -251.446
where: short stacking energy: -106.423
Base-Backbone interact. energy: -0.255
local terms energy: -133.058979
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -31.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -416.031929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.031929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.031929 (E_RNA)
where:
Base-Base interactions energy: -290.780
where: short stacking energy: -115.051
Base-Backbone interact. energy: -0.647
local terms energy: -124.604959
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -37.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -373.824697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.824697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.824697 (E_RNA)
where:
Base-Base interactions energy: -269.673
where: short stacking energy: -105.049
Base-Backbone interact. energy: 0.004
local terms energy: -104.155458
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -28.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -354.888673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.888673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.888673 (E_RNA)
where:
Base-Base interactions energy: -244.299
where: short stacking energy: -100.280
Base-Backbone interact. energy: -0.040
local terms energy: -110.549687
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -31.677
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -311.125116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.125116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.125116 (E_RNA)
where:
Base-Base interactions energy: -205.916
where: short stacking energy: -88.400
Base-Backbone interact. energy: -0.233
local terms energy: -104.975827
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -23.592
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: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -263.334302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.334302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.334302 (E_RNA)
where:
Base-Base interactions energy: -167.997
where: short stacking energy: -70.995
Base-Backbone interact. energy: -1.059
local terms energy: -94.278725
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -227.544150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.544150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.544150 (E_RNA)
where:
Base-Base interactions energy: -137.856
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.186
local terms energy: -89.502478
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -199.968826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.968826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.968826 (E_RNA)
where:
Base-Base interactions energy: -117.062
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.208
local terms energy: -82.698703
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -196.192435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.192435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.192435 (E_RNA)
where:
Base-Base interactions energy: -118.072
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.080
local terms energy: -78.039938
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -24.537
flat angles P-C4'-P energy: -7.782
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: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -109.879624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.879624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.879624 (E_RNA)
where:
Base-Base interactions energy: -50.606
where: short stacking energy: -26.566
Base-Backbone interact. energy: 0.965
local terms energy: -60.238942
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: 8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -418.014595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.014595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.014595 (E_RNA)
where:
Base-Base interactions energy: -304.601
where: short stacking energy: -122.081
Base-Backbone interact. energy: 0.426
local terms energy: -113.838963
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -37.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -370.962961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.962961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.962961 (E_RNA)
where:
Base-Base interactions energy: -252.362
where: short stacking energy: -107.364
Base-Backbone interact. energy: -0.004
local terms energy: -118.596516
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -32.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -365.429938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.429938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.429938 (E_RNA)
where:
Base-Base interactions energy: -260.300
where: short stacking energy: -96.579
Base-Backbone interact. energy: -0.567
local terms energy: -104.563484
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -354.675560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.675560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.675560 (E_RNA)
where:
Base-Base interactions energy: -239.437
where: short stacking energy: -99.337
Base-Backbone interact. energy: -0.216
local terms energy: -115.022364
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -31.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -302.998179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.998179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.998179 (E_RNA)
where:
Base-Base interactions energy: -207.718
where: short stacking energy: -100.182
Base-Backbone interact. energy: -0.180
local terms energy: -95.099619
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -13.864
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: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -281.560952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.560952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.560952 (E_RNA)
where:
Base-Base interactions energy: -180.882
where: short stacking energy: -86.720
Base-Backbone interact. energy: -0.040
local terms energy: -100.638849
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -24.632
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: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -225.059048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.059048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.059048 (E_RNA)
where:
Base-Base interactions energy: -135.627
where: short stacking energy: -73.296
Base-Backbone interact. energy: -0.232
local terms energy: -89.200893
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -193.101216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.101216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.101216 (E_RNA)
where:
Base-Base interactions energy: -114.610
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.569
local terms energy: -77.922714
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -157.474971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.474971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.474971 (E_RNA)
where:
Base-Base interactions energy: -85.401
where: short stacking energy: -58.427
Base-Backbone interact. energy: -1.027
local terms energy: -71.046673
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -6.740
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: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -105.919120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.919120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.919120 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -36.687
Base-Backbone interact. energy: 0.473
local terms energy: -68.637270
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -407.492867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.492867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.492867 (E_RNA)
where:
Base-Base interactions energy: -285.192
where: short stacking energy: -121.409
Base-Backbone interact. energy: -0.157
local terms energy: -122.144200
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -36.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -379.144271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.144271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.144271 (E_RNA)
where:
Base-Base interactions energy: -265.479
where: short stacking energy: -108.692
Base-Backbone interact. energy: -0.738
local terms energy: -112.926467
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -28.584
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: 285
Temperature: 1.000000
Total energy: -365.383141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.383141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.383141 (E_RNA)
where:
Base-Base interactions energy: -241.452
where: short stacking energy: -106.225
Base-Backbone interact. energy: -0.373
local terms energy: -123.558079
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -32.286
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: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -351.119959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.119959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.119959 (E_RNA)
where:
Base-Base interactions energy: -241.108
where: short stacking energy: -95.895
Base-Backbone interact. energy: 0.041
local terms energy: -110.052952
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -29.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -309.966924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.966924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.966924 (E_RNA)
where:
Base-Base interactions energy: -205.552
where: short stacking energy: -95.768
Base-Backbone interact. energy: 1.477
local terms energy: -105.892564
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -28.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -250.255044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.255044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.255044 (E_RNA)
where:
Base-Base interactions energy: -153.269
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.176
local terms energy: -96.809520
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -293.915010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.915010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.915010 (E_RNA)
where:
Base-Base interactions energy: -201.437
where: short stacking energy: -90.039
Base-Backbone interact. energy: -0.215
local terms energy: -92.263071
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -198.913194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.913194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.913194 (E_RNA)
where:
Base-Base interactions energy: -108.096
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.125
local terms energy: -90.691321
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -190.515385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.515385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.515385 (E_RNA)
where:
Base-Base interactions energy: -107.698
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.301
local terms energy: -82.516703
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -2.158
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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -111.321756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.321756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.321756 (E_RNA)
where:
Base-Base interactions energy: -43.276
where: short stacking energy: -35.399
Base-Backbone interact. energy: -0.490
local terms energy: -67.555826
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: 7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -386.063342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.063342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.063342 (E_RNA)
where:
Base-Base interactions energy: -269.926
where: short stacking energy: -98.392
Base-Backbone interact. energy: -0.307
local terms energy: -115.830139
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -415.305925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.305925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.305925 (E_RNA)
where:
Base-Base interactions energy: -289.465
where: short stacking energy: -119.126
Base-Backbone interact. energy: -0.001
local terms energy: -125.839944
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -38.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -352.647204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.647204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.647204 (E_RNA)
where:
Base-Base interactions energy: -245.788
where: short stacking energy: -100.819
Base-Backbone interact. energy: -0.661
local terms energy: -106.198478
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -350.544131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.544131 (E_RNA)
where:
Base-Base interactions energy: -245.063
where: short stacking energy: -102.882
Base-Backbone interact. energy: -0.658
local terms energy: -104.822523
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -251.695121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.695121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.695121 (E_RNA)
where:
Base-Base interactions energy: -167.198
where: short stacking energy: -73.430
Base-Backbone interact. energy: -0.791
local terms energy: -83.706284
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -307.432498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.432498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.432498 (E_RNA)
where:
Base-Base interactions energy: -206.005
where: short stacking energy: -91.385
Base-Backbone interact. energy: 0.349
local terms energy: -101.775717
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -25.268
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: 286
Temperature: 1.200000
Total energy: -262.503243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.503243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.503243 (E_RNA)
where:
Base-Base interactions energy: -166.539
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.340
local terms energy: -95.624243
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -210.095374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.095374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.095374 (E_RNA)
where:
Base-Base interactions energy: -116.086
where: short stacking energy: -64.798
Base-Backbone interact. energy: 0.006
local terms energy: -94.016251
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -11.149
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: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -199.840876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.840876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.840876 (E_RNA)
where:
Base-Base interactions energy: -113.318
where: short stacking energy: -60.370
Base-Backbone interact. energy: -0.436
local terms energy: -86.086279
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -135.922346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.922346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.922346 (E_RNA)
where:
Base-Base interactions energy: -68.119
where: short stacking energy: -38.339
Base-Backbone interact. energy: -0.592
local terms energy: -67.210523
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -401.350468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.350468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.350468 (E_RNA)
where:
Base-Base interactions energy: -283.419
where: short stacking energy: -107.787
Base-Backbone interact. energy: -1.689
local terms energy: -116.242395
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -30.559
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: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -418.918102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.918102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.918102 (E_RNA)
where:
Base-Base interactions energy: -294.746
where: short stacking energy: -116.068
Base-Backbone interact. energy: -0.098
local terms energy: -124.073529
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -37.514
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -350.291674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.291674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.291674 (E_RNA)
where:
Base-Base interactions energy: -243.876
where: short stacking energy: -101.391
Base-Backbone interact. energy: -0.640
local terms energy: -105.774831
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -27.054
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: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -361.874087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.874087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.874087 (E_RNA)
where:
Base-Base interactions energy: -245.091
where: short stacking energy: -107.155
Base-Backbone interact. energy: -0.061
local terms energy: -116.721690
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -31.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -272.349290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.349290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.349290 (E_RNA)
where:
Base-Base interactions energy: -166.639
where: short stacking energy: -100.314
Base-Backbone interact. energy: -0.130
local terms energy: -105.579572
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -23.813
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: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -316.791046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.791046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.791046 (E_RNA)
where:
Base-Base interactions energy: -215.963
where: short stacking energy: -96.666
Base-Backbone interact. energy: -0.221
local terms energy: -100.606864
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -293.273953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.273953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.273953 (E_RNA)
where:
Base-Base interactions energy: -194.606
where: short stacking energy: -84.843
Base-Backbone interact. energy: -0.636
local terms energy: -98.031884
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -20.284
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: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -192.067611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.067611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.067611 (E_RNA)
where:
Base-Base interactions energy: -111.646
where: short stacking energy: -66.638
Base-Backbone interact. energy: 0.214
local terms energy: -80.635682
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -7.805
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: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -195.198814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.198814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.198814 (E_RNA)
where:
Base-Base interactions energy: -113.036
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.763
local terms energy: -81.399238
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -15.689
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: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -170.377750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.377750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.377750 (E_RNA)
where:
Base-Base interactions energy: -96.139
where: short stacking energy: -53.544
Base-Backbone interact. energy: -0.051
local terms energy: -74.188465
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -418.000454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.000454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.000454 (E_RNA)
where:
Base-Base interactions energy: -294.909
where: short stacking energy: -109.048
Base-Backbone interact. energy: -0.236
local terms energy: -122.856025
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -19.228
tors. eta vs tors. theta energy: -32.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -394.000177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.000177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.000177 (E_RNA)
where:
Base-Base interactions energy: -277.492
where: short stacking energy: -113.076
Base-Backbone interact. energy: -0.051
local terms energy: -116.456970
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -29.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -353.368311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.368311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.368311 (E_RNA)
where:
Base-Base interactions energy: -246.706
where: short stacking energy: -96.120
Base-Backbone interact. energy: -0.367
local terms energy: -106.295348
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -346.242911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.242911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.242911 (E_RNA)
where:
Base-Base interactions energy: -241.231
where: short stacking energy: -97.687
Base-Backbone interact. energy: -0.040
local terms energy: -104.972407
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -26.234
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: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -322.964774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.964774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.964774 (E_RNA)
where:
Base-Base interactions energy: -225.374
where: short stacking energy: -100.358
Base-Backbone interact. energy: -0.215
local terms energy: -97.376200
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -23.321
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: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -286.254336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.254336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.254336 (E_RNA)
where:
Base-Base interactions energy: -180.506
where: short stacking energy: -83.555
Base-Backbone interact. energy: -1.046
local terms energy: -104.702044
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -27.507
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: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -305.483966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.483966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.483966 (E_RNA)
where:
Base-Base interactions energy: -195.538
where: short stacking energy: -82.947
Base-Backbone interact. energy: -0.223
local terms energy: -109.722842
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -202.219097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.219097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.219097 (E_RNA)
where:
Base-Base interactions energy: -111.701
where: short stacking energy: -54.753
Base-Backbone interact. energy: -0.065
local terms energy: -90.452883
where:
bonds (distance) C4'-P energy: -23.988
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -201.963259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.963259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963259 (E_RNA)
where:
Base-Base interactions energy: -117.460
where: short stacking energy: -57.893
Base-Backbone interact. energy: -0.347
local terms energy: -84.156106
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -2.362
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -161.210791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.210791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.210791 (E_RNA)
where:
Base-Base interactions energy: -86.991
where: short stacking energy: -42.577
Base-Backbone interact. energy: 1.797
local terms energy: -76.017028
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -410.599091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.599091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.599091 (E_RNA)
where:
Base-Base interactions energy: -285.038
where: short stacking energy: -110.304
Base-Backbone interact. energy: -0.001
local terms energy: -125.560318
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -37.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -400.599629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.599629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.599629 (E_RNA)
where:
Base-Base interactions energy: -280.582
where: short stacking energy: -112.739
Base-Backbone interact. energy: -0.417
local terms energy: -119.601154
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -29.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -355.141708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.141708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.141708 (E_RNA)
where:
Base-Base interactions energy: -247.266
where: short stacking energy: -101.917
Base-Backbone interact. energy: -0.424
local terms energy: -107.452002
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -23.595
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: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -327.455404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.455404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.455404 (E_RNA)
where:
Base-Base interactions energy: -212.711
where: short stacking energy: -92.156
Base-Backbone interact. energy: -0.326
local terms energy: -114.417748
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -349.223898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.223898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.223898 (E_RNA)
where:
Base-Base interactions energy: -239.312
where: short stacking energy: -115.915
Base-Backbone interact. energy: -0.240
local terms energy: -109.671321
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -29.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -301.391187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.391187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.391187 (E_RNA)
where:
Base-Base interactions energy: -202.355
where: short stacking energy: -85.855
Base-Backbone interact. energy: -0.277
local terms energy: -98.759564
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -261.498749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.498749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.498749 (E_RNA)
where:
Base-Base interactions energy: -162.305
where: short stacking energy: -80.120
Base-Backbone interact. energy: -0.763
local terms energy: -98.430905
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -16.519
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: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -211.395342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.395342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.395342 (E_RNA)
where:
Base-Base interactions energy: -121.865
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.111
local terms energy: -89.419046
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -178.007137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.007137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.007137 (E_RNA)
where:
Base-Base interactions energy: -89.327
where: short stacking energy: -51.772
Base-Backbone interact. energy: -0.551
local terms energy: -88.128539
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -170.354666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.354666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.354666 (E_RNA)
where:
Base-Base interactions energy: -91.692
where: short stacking energy: -48.649
Base-Backbone interact. energy: -0.412
local terms energy: -78.251615
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -411.203145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.203145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.203145 (E_RNA)
where:
Base-Base interactions energy: -293.065
where: short stacking energy: -126.579
Base-Backbone interact. energy: 0.185
local terms energy: -118.323328
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -34.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -378.791686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.791686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.791686 (E_RNA)
where:
Base-Base interactions energy: -257.388
where: short stacking energy: -99.170
Base-Backbone interact. energy: -0.656
local terms energy: -120.748042
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -30.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -339.666304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.666304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.666304 (E_RNA)
where:
Base-Base interactions energy: -235.904
where: short stacking energy: -93.286
Base-Backbone interact. energy: -0.484
local terms energy: -103.278158
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -352.131764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.131764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.131764 (E_RNA)
where:
Base-Base interactions energy: -239.746
where: short stacking energy: -92.132
Base-Backbone interact. energy: -0.298
local terms energy: -112.087867
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -23.872
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: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -343.025607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.025607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.025607 (E_RNA)
where:
Base-Base interactions energy: -232.333
where: short stacking energy: -99.104
Base-Backbone interact. energy: -0.059
local terms energy: -110.632877
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -29.845
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: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -309.191854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.191854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.191854 (E_RNA)
where:
Base-Base interactions energy: -201.954
where: short stacking energy: -73.615
Base-Backbone interact. energy: -0.442
local terms energy: -106.795618
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -273.697789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.697789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.697789 (E_RNA)
where:
Base-Base interactions energy: -174.781
where: short stacking energy: -97.102
Base-Backbone interact. energy: 0.361
local terms energy: -99.277723
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -23.315
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: 290
Temperature: 1.250000
Total energy: -186.053201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.053201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.053201 (E_RNA)
where:
Base-Base interactions energy: -108.227
where: short stacking energy: -46.400
Base-Backbone interact. energy: -2.351
local terms energy: -75.475721
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -15.212
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: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -169.904975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.904975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.904975 (E_RNA)
where:
Base-Base interactions energy: -85.656
where: short stacking energy: -46.820
Base-Backbone interact. energy: -0.903
local terms energy: -83.346050
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -26.137
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -142.481179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.481179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.481179 (E_RNA)
where:
Base-Base interactions energy: -63.991
where: short stacking energy: -40.198
Base-Backbone interact. energy: 0.014
local terms energy: -78.504335
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -418.840591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.840591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.840591 (E_RNA)
where:
Base-Base interactions energy: -291.299
where: short stacking energy: -123.317
Base-Backbone interact. energy: -0.519
local terms energy: -127.022983
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -35.419
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: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -385.080472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.080472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.080472 (E_RNA)
where:
Base-Base interactions energy: -270.942
where: short stacking energy: -105.983
Base-Backbone interact. energy: -0.765
local terms energy: -113.373534
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -338.819847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.819847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.819847 (E_RNA)
where:
Base-Base interactions energy: -231.548
where: short stacking energy: -93.444
Base-Backbone interact. energy: -0.295
local terms energy: -106.977135
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -358.547483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.547483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.547483 (E_RNA)
where:
Base-Base interactions energy: -239.806
where: short stacking energy: -100.831
Base-Backbone interact. energy: -0.435
local terms energy: -118.306443
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -31.536
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: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -332.697749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.697749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.697749 (E_RNA)
where:
Base-Base interactions energy: -231.236
where: short stacking energy: -99.221
Base-Backbone interact. energy: 0.206
local terms energy: -101.667340
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -18.378
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: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -319.407097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.407097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.407097 (E_RNA)
where:
Base-Base interactions energy: -218.146
where: short stacking energy: -96.583
Base-Backbone interact. energy: -0.291
local terms energy: -100.970307
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -256.347862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.347862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.347862 (E_RNA)
where:
Base-Base interactions energy: -162.402
where: short stacking energy: -70.978
Base-Backbone interact. energy: -0.197
local terms energy: -93.749502
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -205.197695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.197695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.197695 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -57.993
Base-Backbone interact. energy: -1.622
local terms energy: -87.474759
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -25.045
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -12.754
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: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -177.928841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.928841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.928841 (E_RNA)
where:
Base-Base interactions energy: -106.110
where: short stacking energy: -48.440
Base-Backbone interact. energy: -0.111
local terms energy: -71.708087
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -1.003
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: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -119.473102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.473102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.473102 (E_RNA)
where:
Base-Base interactions energy: -46.666
where: short stacking energy: -46.394
Base-Backbone interact. energy: -0.069
local terms energy: -72.737994
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -3.947
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: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -417.145385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.145385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.145385 (E_RNA)
where:
Base-Base interactions energy: -298.578
where: short stacking energy: -112.809
Base-Backbone interact. energy: -0.484
local terms energy: -118.082950
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -388.441948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.441948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.441948 (E_RNA)
where:
Base-Base interactions energy: -267.265
where: short stacking energy: -109.644
Base-Backbone interact. energy: -0.077
local terms energy: -121.100322
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -20.288
tors. eta vs tors. theta energy: -27.408
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: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -364.010762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.010762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.010762 (E_RNA)
where:
Base-Base interactions energy: -252.152
where: short stacking energy: -109.137
Base-Backbone interact. energy: -0.291
local terms energy: -111.567641
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -28.745
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: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -334.407667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.407667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.407667 (E_RNA)
where:
Base-Base interactions energy: -220.676
where: short stacking energy: -93.622
Base-Backbone interact. energy: -0.385
local terms energy: -113.346511
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -24.929
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: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -323.115809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.115809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.115809 (E_RNA)
where:
Base-Base interactions energy: -218.933
where: short stacking energy: -100.252
Base-Backbone interact. energy: -0.200
local terms energy: -103.983351
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -25.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -318.316122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.316122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.316122 (E_RNA)
where:
Base-Base interactions energy: -219.511
where: short stacking energy: -89.673
Base-Backbone interact. energy: -0.418
local terms energy: -98.387178
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -261.151964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.151964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.151964 (E_RNA)
where:
Base-Base interactions energy: -173.363
where: short stacking energy: -93.034
Base-Backbone interact. energy: 0.198
local terms energy: -87.987639
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -16.562
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: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -191.592414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.592414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.592414 (E_RNA)
where:
Base-Base interactions energy: -114.865
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.163
local terms energy: -76.564361
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -12.983
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: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -125.874773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.874773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.874773 (E_RNA)
where:
Base-Base interactions energy: -46.591
where: short stacking energy: -38.143
Base-Backbone interact. energy: -0.202
local terms energy: -79.081401
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -9.999
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: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -128.640331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.640331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.640331 (E_RNA)
where:
Base-Base interactions energy: -65.277
where: short stacking energy: -38.484
Base-Backbone interact. energy: 0.275
local terms energy: -63.638996
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -412.793075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.793075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.793075 (E_RNA)
where:
Base-Base interactions energy: -292.085
where: short stacking energy: -111.755
Base-Backbone interact. energy: -0.282
local terms energy: -120.425964
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -26.907
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -32.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -389.974511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.974511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.974511 (E_RNA)
where:
Base-Base interactions energy: -285.429
where: short stacking energy: -112.749
Base-Backbone interact. energy: -0.469
local terms energy: -104.075923
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -30.485
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -351.305740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.305740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.305740 (E_RNA)
where:
Base-Base interactions energy: -235.068
where: short stacking energy: -104.016
Base-Backbone interact. energy: -0.497
local terms energy: -115.740610
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -31.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -337.478929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.478929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.478929 (E_RNA)
where:
Base-Base interactions energy: -236.518
where: short stacking energy: -95.676
Base-Backbone interact. energy: 0.412
local terms energy: -101.372125
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -313.341666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.341666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.341666 (E_RNA)
where:
Base-Base interactions energy: -213.094
where: short stacking energy: -91.571
Base-Backbone interact. energy: -1.584
local terms energy: -98.663958
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -305.761754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.761754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.761754 (E_RNA)
where:
Base-Base interactions energy: -208.046
where: short stacking energy: -88.920
Base-Backbone interact. energy: 0.959
local terms energy: -98.675329
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -29.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -249.754538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.754538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.754538 (E_RNA)
where:
Base-Base interactions energy: -153.315
where: short stacking energy: -78.503
Base-Backbone interact. energy: -0.147
local terms energy: -96.292607
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -191.101309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.101309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.101309 (E_RNA)
where:
Base-Base interactions energy: -111.772
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.396
local terms energy: -78.933079
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -124.023733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.023733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.023733 (E_RNA)
where:
Base-Base interactions energy: -55.026
where: short stacking energy: -43.399
Base-Backbone interact. energy: 0.095
local terms energy: -69.092688
where:
bonds (distance) C4'-P energy: -26.435
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -110.558801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.558801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.558801 (E_RNA)
where:
Base-Base interactions energy: -33.223
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.613
local terms energy: -76.723200
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: 2.210
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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -423.262451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.262451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.262451 (E_RNA)
where:
Base-Base interactions energy: -298.768
where: short stacking energy: -116.629
Base-Backbone interact. energy: -0.016
local terms energy: -124.479090
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -33.987
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -390.560500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.560500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.560500 (E_RNA)
where:
Base-Base interactions energy: -275.832
where: short stacking energy: -105.875
Base-Backbone interact. energy: -0.629
local terms energy: -114.099882
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -360.823594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.823594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.823594 (E_RNA)
where:
Base-Base interactions energy: -244.359
where: short stacking energy: -106.136
Base-Backbone interact. energy: -0.128
local terms energy: -116.336521
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -32.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -339.240531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.240531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.240531 (E_RNA)
where:
Base-Base interactions energy: -228.336
where: short stacking energy: -94.807
Base-Backbone interact. energy: -0.145
local terms energy: -110.759616
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -24.893
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: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -323.308111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.308111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.308111 (E_RNA)
where:
Base-Base interactions energy: -212.216
where: short stacking energy: -101.325
Base-Backbone interact. energy: -0.298
local terms energy: -110.794410
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -14.223
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: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -315.987091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.987091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.987091 (E_RNA)
where:
Base-Base interactions energy: -219.308
where: short stacking energy: -90.919
Base-Backbone interact. energy: -0.695
local terms energy: -95.983779
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -22.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -253.206678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.206678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.206678 (E_RNA)
where:
Base-Base interactions energy: -160.796
where: short stacking energy: -74.583
Base-Backbone interact. energy: 0.217
local terms energy: -92.628162
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -9.974
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: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -191.970499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.970499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.970499 (E_RNA)
where:
Base-Base interactions energy: -113.113
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.294
local terms energy: -78.563055
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -9.331
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: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -158.698944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.698944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.698944 (E_RNA)
where:
Base-Base interactions energy: -77.319
where: short stacking energy: -54.358
Base-Backbone interact. energy: -0.260
local terms energy: -81.120073
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -8.381
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -121.908680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.908680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.908680 (E_RNA)
where:
Base-Base interactions energy: -53.759
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.066
local terms energy: -68.083223
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -425.988804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.988804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.988804 (E_RNA)
where:
Base-Base interactions energy: -294.213
where: short stacking energy: -117.903
Base-Backbone interact. energy: -0.089
local terms energy: -131.686959
where:
bonds (distance) C4'-P energy: -26.597
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -33.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -378.712456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.712456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.712456 (E_RNA)
where:
Base-Base interactions energy: -266.761
where: short stacking energy: -103.404
Base-Backbone interact. energy: -1.431
local terms energy: -110.520990
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -26.348
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -28.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -367.275157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.275157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.275157 (E_RNA)
where:
Base-Base interactions energy: -253.233
where: short stacking energy: -109.065
Base-Backbone interact. energy: -0.002
local terms energy: -114.040520
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -353.831911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.831911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.831911 (E_RNA)
where:
Base-Base interactions energy: -252.061
where: short stacking energy: -82.594
Base-Backbone interact. energy: -0.503
local terms energy: -101.267682
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -19.000
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: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -324.431445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.431445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.431445 (E_RNA)
where:
Base-Base interactions energy: -220.774
where: short stacking energy: -95.570
Base-Backbone interact. energy: 0.795
local terms energy: -104.452057
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -25.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -303.361087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.361087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.361087 (E_RNA)
where:
Base-Base interactions energy: -197.869
where: short stacking energy: -76.119
Base-Backbone interact. energy: -0.800
local terms energy: -104.691409
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -241.982184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.982184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.982184 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.004
local terms energy: -98.851457
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -7.199
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: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -204.085296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.085296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.085296 (E_RNA)
where:
Base-Base interactions energy: -115.172
where: short stacking energy: -53.429
Base-Backbone interact. energy: -0.137
local terms energy: -88.776738
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -9.787
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: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -149.055182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.055182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.055182 (E_RNA)
where:
Base-Base interactions energy: -78.451
where: short stacking energy: -36.941
Base-Backbone interact. energy: 0.568
local terms energy: -71.171386
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -114.223364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.223364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.223364 (E_RNA)
where:
Base-Base interactions energy: -48.863
where: short stacking energy: -43.841
Base-Backbone interact. energy: 0.604
local terms energy: -65.964699
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -5.657
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: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -416.387687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.387687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.387687 (E_RNA)
where:
Base-Base interactions energy: -289.927
where: short stacking energy: -116.635
Base-Backbone interact. energy: -0.007
local terms energy: -126.453604
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -35.377
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: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -397.644924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.644924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.644924 (E_RNA)
where:
Base-Base interactions energy: -280.502
where: short stacking energy: -105.638
Base-Backbone interact. energy: -0.894
local terms energy: -116.248388
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -27.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -355.355306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.355306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.355306 (E_RNA)
where:
Base-Base interactions energy: -250.494
where: short stacking energy: -91.788
Base-Backbone interact. energy: -0.322
local terms energy: -104.539635
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -355.690637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.690637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.690637 (E_RNA)
where:
Base-Base interactions energy: -241.281
where: short stacking energy: -103.548
Base-Backbone interact. energy: -0.253
local terms energy: -114.156825
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -28.199
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: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -342.550284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.550284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.550284 (E_RNA)
where:
Base-Base interactions energy: -231.617
where: short stacking energy: -99.148
Base-Backbone interact. energy: -0.157
local terms energy: -110.775910
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -29.690
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: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -291.794820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.794820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.794820 (E_RNA)
where:
Base-Base interactions energy: -199.613
where: short stacking energy: -84.812
Base-Backbone interact. energy: -0.111
local terms energy: -92.070117
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -242.483332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.483332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.483332 (E_RNA)
where:
Base-Base interactions energy: -144.514
where: short stacking energy: -74.034
Base-Backbone interact. energy: 0.483
local terms energy: -98.452791
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -237.621215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.621215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.621215 (E_RNA)
where:
Base-Base interactions energy: -135.668
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.092
local terms energy: -101.861605
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -10.087
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: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -138.368480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.368480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.368480 (E_RNA)
where:
Base-Base interactions energy: -74.855
where: short stacking energy: -36.712
Base-Backbone interact. energy: 1.145
local terms energy: -64.658520
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -105.876556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.876556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.876556 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -30.866
Base-Backbone interact. energy: -0.292
local terms energy: -68.397471
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -410.768371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.768371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.768371 (E_RNA)
where:
Base-Base interactions energy: -291.099
where: short stacking energy: -112.670
Base-Backbone interact. energy: -0.078
local terms energy: -119.591564
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -32.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -395.531676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.531676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.531676 (E_RNA)
where:
Base-Base interactions energy: -275.602
where: short stacking energy: -106.091
Base-Backbone interact. energy: -0.374
local terms energy: -119.555193
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -27.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -352.072662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.072662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.072662 (E_RNA)
where:
Base-Base interactions energy: -239.099
where: short stacking energy: -96.181
Base-Backbone interact. energy: -0.126
local terms energy: -112.848201
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -26.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -358.754036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.754036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.754036 (E_RNA)
where:
Base-Base interactions energy: -246.031
where: short stacking energy: -105.935
Base-Backbone interact. energy: 1.307
local terms energy: -114.030120
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -33.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -313.862331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.862331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.862331 (E_RNA)
where:
Base-Base interactions energy: -210.447
where: short stacking energy: -82.949
Base-Backbone interact. energy: -0.624
local terms energy: -102.791248
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -28.104
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: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -291.157020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.157020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.157020 (E_RNA)
where:
Base-Base interactions energy: -189.395
where: short stacking energy: -79.159
Base-Backbone interact. energy: 0.336
local terms energy: -102.098114
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -11.763
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: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -254.386958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.386958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.386958 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -75.928
Base-Backbone interact. energy: -0.198
local terms energy: -87.991392
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -13.592
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: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -232.904868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.904868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.904868 (E_RNA)
where:
Base-Base interactions energy: -135.777
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.747
local terms energy: -96.380710
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -124.624828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.624828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.624828 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -34.525
Base-Backbone interact. energy: -0.213
local terms energy: -88.456981
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -7.003
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: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -134.855603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.855603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.855603 (E_RNA)
where:
Base-Base interactions energy: -57.034
where: short stacking energy: -27.466
Base-Backbone interact. energy: -1.040
local terms energy: -76.781580
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -401.296183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.296183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.296183 (E_RNA)
where:
Base-Base interactions energy: -289.569
where: short stacking energy: -112.835
Base-Backbone interact. energy: -0.494
local terms energy: -111.233610
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -413.767200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.767200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.767200 (E_RNA)
where:
Base-Base interactions energy: -283.630
where: short stacking energy: -118.212
Base-Backbone interact. energy: -0.044
local terms energy: -130.093648
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -38.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -372.202931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.202931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.202931 (E_RNA)
where:
Base-Base interactions energy: -254.582
where: short stacking energy: -106.443
Base-Backbone interact. energy: 0.306
local terms energy: -117.926461
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -34.468
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: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -349.292705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.292705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.292705 (E_RNA)
where:
Base-Base interactions energy: -240.390
where: short stacking energy: -98.655
Base-Backbone interact. energy: -0.123
local terms energy: -108.780402
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -26.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -313.217477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.217477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.217477 (E_RNA)
where:
Base-Base interactions energy: -221.510
where: short stacking energy: -102.532
Base-Backbone interact. energy: -0.785
local terms energy: -90.922250
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -310.910187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.910187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.910187 (E_RNA)
where:
Base-Base interactions energy: -218.410
where: short stacking energy: -101.358
Base-Backbone interact. energy: 0.864
local terms energy: -93.364349
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -240.177069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.177069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.177069 (E_RNA)
where:
Base-Base interactions energy: -150.613
where: short stacking energy: -78.692
Base-Backbone interact. energy: 2.611
local terms energy: -92.175173
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -243.039569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.039569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.039569 (E_RNA)
where:
Base-Base interactions energy: -160.627
where: short stacking energy: -66.529
Base-Backbone interact. energy: -0.303
local terms energy: -82.109547
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -12.301
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -160.370919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.370919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.370919 (E_RNA)
where:
Base-Base interactions energy: -89.139
where: short stacking energy: -47.832
Base-Backbone interact. energy: 0.060
local terms energy: -71.291728
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -122.812224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.812224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.812224 (E_RNA)
where:
Base-Base interactions energy: -43.423
where: short stacking energy: -40.806
Base-Backbone interact. energy: 0.206
local terms energy: -79.594555
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -400.879523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.879523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.879523 (E_RNA)
where:
Base-Base interactions energy: -281.717
where: short stacking energy: -106.404
Base-Backbone interact. energy: -0.668
local terms energy: -118.494075
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -419.682791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.682791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.682791 (E_RNA)
where:
Base-Base interactions energy: -298.300
where: short stacking energy: -114.366
Base-Backbone interact. energy: -0.303
local terms energy: -121.080497
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -35.182
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: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -360.256924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.256924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.256924 (E_RNA)
where:
Base-Base interactions energy: -246.057
where: short stacking energy: -106.367
Base-Backbone interact. energy: -1.122
local terms energy: -113.077314
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -30.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -346.597288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.597288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.597288 (E_RNA)
where:
Base-Base interactions energy: -240.589
where: short stacking energy: -93.494
Base-Backbone interact. energy: -0.176
local terms energy: -105.832953
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -314.338922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.338922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.338922 (E_RNA)
where:
Base-Base interactions energy: -209.303
where: short stacking energy: -91.290
Base-Backbone interact. energy: -0.097
local terms energy: -104.939560
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -21.922
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: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -303.092960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.092960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.092960 (E_RNA)
where:
Base-Base interactions energy: -203.339
where: short stacking energy: -91.729
Base-Backbone interact. energy: 0.862
local terms energy: -100.616160
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -20.396
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: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -235.661772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.661772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.661772 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -78.417
Base-Backbone interact. energy: -0.960
local terms energy: -85.505402
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -18.912
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: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -244.169744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.169744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.169744 (E_RNA)
where:
Base-Base interactions energy: -144.589
where: short stacking energy: -65.503
Base-Backbone interact. energy: -0.980
local terms energy: -98.600670
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -125.946004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.946004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.946004 (E_RNA)
where:
Base-Base interactions energy: -59.232
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.145
local terms energy: -66.568396
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -115.407632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.407632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.407632 (E_RNA)
where:
Base-Base interactions energy: -44.154
where: short stacking energy: -44.154
Base-Backbone interact. energy: -0.030
local terms energy: -71.223138
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -424.732583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.732583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.732583 (E_RNA)
where:
Base-Base interactions energy: -298.757
where: short stacking energy: -120.451
Base-Backbone interact. energy: -0.003
local terms energy: -125.972722
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -36.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -378.768485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.768485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.768485 (E_RNA)
where:
Base-Base interactions energy: -267.709
where: short stacking energy: -109.013
Base-Backbone interact. energy: 0.034
local terms energy: -111.092920
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -26.799
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: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -363.816129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.816129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.816129 (E_RNA)
where:
Base-Base interactions energy: -248.586
where: short stacking energy: -105.454
Base-Backbone interact. energy: -1.125
local terms energy: -114.104316
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -31.602
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: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -344.299178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.299178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.299178 (E_RNA)
where:
Base-Base interactions energy: -239.354
where: short stacking energy: -102.726
Base-Backbone interact. energy: -0.132
local terms energy: -104.813059
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -22.637
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: 300
Temperature: 1.100000
Total energy: -326.437122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.437122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.437122 (E_RNA)
where:
Base-Base interactions energy: -216.937
where: short stacking energy: -96.249
Base-Backbone interact. energy: -0.211
local terms energy: -109.289494
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -22.689
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: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -315.296742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.296742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.296742 (E_RNA)
where:
Base-Base interactions energy: -214.228
where: short stacking energy: -91.364
Base-Backbone interact. energy: -0.140
local terms energy: -100.928687
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -267.972169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.972169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.972169 (E_RNA)
where:
Base-Base interactions energy: -164.916
where: short stacking energy: -72.637
Base-Backbone interact. energy: 0.827
local terms energy: -103.883355
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -207.142267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.142267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.142267 (E_RNA)
where:
Base-Base interactions energy: -119.756
where: short stacking energy: -66.745
Base-Backbone interact. energy: -0.236
local terms energy: -87.150259
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -12.306
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: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -115.665943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.665943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.665943 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.306
local terms energy: -75.566021
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: 2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -140.477483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.477483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.477483 (E_RNA)
where:
Base-Base interactions energy: -68.342
where: short stacking energy: -40.587
Base-Backbone interact. energy: -0.015
local terms energy: -72.119661
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -419.703927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.703927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.703927 (E_RNA)
where:
Base-Base interactions energy: -294.116
where: short stacking energy: -112.888
Base-Backbone interact. energy: -0.093
local terms energy: -125.494329
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -38.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -374.350563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.350563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.350563 (E_RNA)
where:
Base-Base interactions energy: -266.790
where: short stacking energy: -96.171
Base-Backbone interact. energy: 0.031
local terms energy: -107.591294
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -25.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -361.900562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.900562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.900562 (E_RNA)
where:
Base-Base interactions energy: -254.650
where: short stacking energy: -108.215
Base-Backbone interact. energy: -0.983
local terms energy: -106.266906
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -26.773
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -28.275
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: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -327.227905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.227905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.227905 (E_RNA)
where:
Base-Base interactions energy: -219.889
where: short stacking energy: -89.789
Base-Backbone interact. energy: -0.769
local terms energy: -106.570718
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -321.161032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.161032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.161032 (E_RNA)
where:
Base-Base interactions energy: -217.453
where: short stacking energy: -83.018
Base-Backbone interact. energy: -0.574
local terms energy: -103.133759
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -22.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -324.681059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.681059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.681059 (E_RNA)
where:
Base-Base interactions energy: -219.753
where: short stacking energy: -97.408
Base-Backbone interact. energy: -0.533
local terms energy: -104.394785
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -265.398330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.398330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.398330 (E_RNA)
where:
Base-Base interactions energy: -164.826
where: short stacking energy: -83.954
Base-Backbone interact. energy: -0.290
local terms energy: -100.282436
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -156.460593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.460593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.460593 (E_RNA)
where:
Base-Base interactions energy: -88.781
where: short stacking energy: -41.875
Base-Backbone interact. energy: -0.406
local terms energy: -67.273473
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -177.768776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.768776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.768776 (E_RNA)
where:
Base-Base interactions energy: -100.476
where: short stacking energy: -45.443
Base-Backbone interact. energy: -0.810
local terms energy: -76.482655
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -120.106471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.106471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.106471 (E_RNA)
where:
Base-Base interactions energy: -49.054
where: short stacking energy: -19.824
Base-Backbone interact. energy: 0.144
local terms energy: -71.196125
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -396.286398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.286398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.286398 (E_RNA)
where:
Base-Base interactions energy: -281.874
where: short stacking energy: -108.628
Base-Backbone interact. energy: -0.332
local terms energy: -114.080423
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -408.288232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.288232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.288232 (E_RNA)
where:
Base-Base interactions energy: -277.685
where: short stacking energy: -120.047
Base-Backbone interact. energy: -0.006
local terms energy: -130.597106
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -355.550438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.550438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.550438 (E_RNA)
where:
Base-Base interactions energy: -236.099
where: short stacking energy: -102.031
Base-Backbone interact. energy: -0.672
local terms energy: -118.779894
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -30.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -337.623058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.623058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.623058 (E_RNA)
where:
Base-Base interactions energy: -231.770
where: short stacking energy: -93.787
Base-Backbone interact. energy: 1.638
local terms energy: -107.490443
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -26.057
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -23.719
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: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -317.585623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.585623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.585623 (E_RNA)
where:
Base-Base interactions energy: -202.780
where: short stacking energy: -90.261
Base-Backbone interact. energy: -1.042
local terms energy: -113.763332
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -27.970
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: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -339.828119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.828119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.828119 (E_RNA)
where:
Base-Base interactions energy: -242.648
where: short stacking energy: -89.749
Base-Backbone interact. energy: -0.355
local terms energy: -96.824606
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -23.790
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: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -251.610568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.610568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.610568 (E_RNA)
where:
Base-Base interactions energy: -156.241
where: short stacking energy: -77.433
Base-Backbone interact. energy: -0.452
local terms energy: -94.917657
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -133.999688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.999688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.999688 (E_RNA)
where:
Base-Base interactions energy: -58.632
where: short stacking energy: -31.236
Base-Backbone interact. energy: -1.250
local terms energy: -74.118025
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -191.935923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935923 (E_RNA)
where:
Base-Base interactions energy: -111.041
where: short stacking energy: -50.666
Base-Backbone interact. energy: -1.024
local terms energy: -79.871030
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -100.798661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.798661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.798661 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -29.554
Base-Backbone interact. energy: -0.095
local terms energy: -61.110444
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -388.829915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.829915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.829915 (E_RNA)
where:
Base-Base interactions energy: -274.153
where: short stacking energy: -110.693
Base-Backbone interact. energy: -0.297
local terms energy: -114.380256
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -412.092478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.092478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.092478 (E_RNA)
where:
Base-Base interactions energy: -290.255
where: short stacking energy: -117.488
Base-Backbone interact. energy: -0.144
local terms energy: -121.693840
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -40.184
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: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -359.331969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.331969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.331969 (E_RNA)
where:
Base-Base interactions energy: -244.432
where: short stacking energy: -106.647
Base-Backbone interact. energy: -0.263
local terms energy: -114.637338
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -33.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -339.431097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.431097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.431097 (E_RNA)
where:
Base-Base interactions energy: -232.720
where: short stacking energy: -93.563
Base-Backbone interact. energy: -0.435
local terms energy: -106.275423
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -329.778886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.778886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.778886 (E_RNA)
where:
Base-Base interactions energy: -221.947
where: short stacking energy: -94.845
Base-Backbone interact. energy: 0.347
local terms energy: -108.178508
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -310.675102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.675102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.675102 (E_RNA)
where:
Base-Base interactions energy: -213.319
where: short stacking energy: -95.466
Base-Backbone interact. energy: 0.138
local terms energy: -97.493952
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -269.713730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.713730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.713730 (E_RNA)
where:
Base-Base interactions energy: -178.246
where: short stacking energy: -86.754
Base-Backbone interact. energy: -1.166
local terms energy: -90.301291
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -17.957
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: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -234.499320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.499320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.499320 (E_RNA)
where:
Base-Base interactions energy: -146.348
where: short stacking energy: -67.203
Base-Backbone interact. energy: 0.441
local terms energy: -88.591520
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -10.005
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: 303
Temperature: 1.300000
Total energy: -118.451000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.451000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.451000 (E_RNA)
where:
Base-Base interactions energy: -46.014
where: short stacking energy: -38.915
Base-Backbone interact. energy: -0.210
local terms energy: -72.226117
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: 4.081
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: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -114.285726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.285726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.285726 (E_RNA)
where:
Base-Base interactions energy: -43.884
where: short stacking energy: -43.884
Base-Backbone interact. energy: 1.151
local terms energy: -71.552403
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -422.060338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.060338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.060338 (E_RNA)
where:
Base-Base interactions energy: -295.355
where: short stacking energy: -118.007
Base-Backbone interact. energy: -0.015
local terms energy: -126.689939
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -37.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -380.569229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.569229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.569229 (E_RNA)
where:
Base-Base interactions energy: -270.921
where: short stacking energy: -105.612
Base-Backbone interact. energy: 0.331
local terms energy: -109.979710
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -355.271150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.271150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.271150 (E_RNA)
where:
Base-Base interactions energy: -243.797
where: short stacking energy: -101.660
Base-Backbone interact. energy: -0.006
local terms energy: -111.467703
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -30.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -333.995810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.995810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.995810 (E_RNA)
where:
Base-Base interactions energy: -228.151
where: short stacking energy: -90.422
Base-Backbone interact. energy: -0.549
local terms energy: -105.295518
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -23.937
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: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -304.155156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.155156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.155156 (E_RNA)
where:
Base-Base interactions energy: -198.426
where: short stacking energy: -88.065
Base-Backbone interact. energy: -0.144
local terms energy: -105.585192
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -23.416
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: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -306.124355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.124355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.124355 (E_RNA)
where:
Base-Base interactions energy: -206.719
where: short stacking energy: -93.547
Base-Backbone interact. energy: -0.115
local terms energy: -99.290228
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -22.591
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: 304
Temperature: 1.200000
Total energy: -235.391035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.391035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.391035 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.811
local terms energy: -94.544464
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -7.602
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -240.446911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.446911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.446911 (E_RNA)
where:
Base-Base interactions energy: -158.651
where: short stacking energy: -66.476
Base-Backbone interact. energy: 0.013
local terms energy: -81.809153
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -17.606
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: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -125.256206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.256206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.256206 (E_RNA)
where:
Base-Base interactions energy: -59.421
where: short stacking energy: -59.421
Base-Backbone interact. energy: 1.571
local terms energy: -67.406155
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.983
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: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -103.196773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.196773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.196773 (E_RNA)
where:
Base-Base interactions energy: -33.517
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.255
local terms energy: -69.424881
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -422.850581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.850581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.850581 (E_RNA)
where:
Base-Base interactions energy: -295.918
where: short stacking energy: -123.285
Base-Backbone interact. energy: -0.002
local terms energy: -126.930449
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -36.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -357.850886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.850886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.850886 (E_RNA)
where:
Base-Base interactions energy: -242.398
where: short stacking energy: -114.731
Base-Backbone interact. energy: -0.072
local terms energy: -115.381063
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -32.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -372.298016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.298016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.298016 (E_RNA)
where:
Base-Base interactions energy: -256.249
where: short stacking energy: -95.246
Base-Backbone interact. energy: -0.775
local terms energy: -115.274181
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -338.324811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.324811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.324811 (E_RNA)
where:
Base-Base interactions energy: -228.467
where: short stacking energy: -97.974
Base-Backbone interact. energy: -0.124
local terms energy: -109.733762
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -315.189775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.189775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.189775 (E_RNA)
where:
Base-Base interactions energy: -221.833
where: short stacking energy: -94.509
Base-Backbone interact. energy: -0.571
local terms energy: -92.786193
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -328.670266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.670266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.670266 (E_RNA)
where:
Base-Base interactions energy: -214.317
where: short stacking energy: -95.966
Base-Backbone interact. energy: -0.562
local terms energy: -113.791056
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -27.600
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -205.146013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.146013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.146013 (E_RNA)
where:
Base-Base interactions energy: -117.443
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.158
local terms energy: -87.545072
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -261.152681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.152681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.152681 (E_RNA)
where:
Base-Base interactions energy: -172.865
where: short stacking energy: -80.077
Base-Backbone interact. energy: -0.117
local terms energy: -88.170840
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -115.772299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.772299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.772299 (E_RNA)
where:
Base-Base interactions energy: -48.835
where: short stacking energy: -33.588
Base-Backbone interact. energy: 3.012
local terms energy: -69.949454
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -10.646
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: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -107.199031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.199031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.199031 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.518
local terms energy: -70.944127
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -421.193933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.193933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.193933 (E_RNA)
where:
Base-Base interactions energy: -296.807
where: short stacking energy: -117.605
Base-Backbone interact. energy: -0.014
local terms energy: -124.373220
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -37.490
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: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -368.892752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.892752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.892752 (E_RNA)
where:
Base-Base interactions energy: -257.828
where: short stacking energy: -100.374
Base-Backbone interact. energy: -0.035
local terms energy: -111.029243
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -336.758700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.758700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.758700 (E_RNA)
where:
Base-Base interactions energy: -224.660
where: short stacking energy: -102.688
Base-Backbone interact. energy: -0.215
local terms energy: -111.884126
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -28.602
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: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -363.279819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.279819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.279819 (E_RNA)
where:
Base-Base interactions energy: -245.644
where: short stacking energy: -87.166
Base-Backbone interact. energy: -0.401
local terms energy: -117.235364
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -28.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -329.776126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.776126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.776126 (E_RNA)
where:
Base-Base interactions energy: -229.043
where: short stacking energy: -100.493
Base-Backbone interact. energy: -0.171
local terms energy: -100.562198
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -302.169358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.169358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.169358 (E_RNA)
where:
Base-Base interactions energy: -198.727
where: short stacking energy: -74.459
Base-Backbone interact. energy: -0.005
local terms energy: -103.437988
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -220.757019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.757019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.757019 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.445
local terms energy: -83.778709
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -211.853767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.853767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.853767 (E_RNA)
where:
Base-Base interactions energy: -120.480
where: short stacking energy: -67.292
Base-Backbone interact. energy: 1.462
local terms energy: -92.835133
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -156.968707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.968707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.968707 (E_RNA)
where:
Base-Base interactions energy: -68.500
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.535
local terms energy: -87.933860
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -14.285
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: 306
Temperature: 1.350000
Total energy: -114.122111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.122111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.122111 (E_RNA)
where:
Base-Base interactions energy: -52.889
where: short stacking energy: -44.095
Base-Backbone interact. energy: -0.177
local terms energy: -61.055912
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -8.981
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: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -430.367881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.367881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.367881 (E_RNA)
where:
Base-Base interactions energy: -300.231
where: short stacking energy: -122.916
Base-Backbone interact. energy: 0.211
local terms energy: -130.347270
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -39.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -373.796732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.796732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.796732 (E_RNA)
where:
Base-Base interactions energy: -259.042
where: short stacking energy: -118.778
Base-Backbone interact. energy: 0.989
local terms energy: -115.743987
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -29.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -333.709879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.709879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.709879 (E_RNA)
where:
Base-Base interactions energy: -222.369
where: short stacking energy: -105.483
Base-Backbone interact. energy: 0.430
local terms energy: -111.770968
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -27.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -351.621079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.621079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.621079 (E_RNA)
where:
Base-Base interactions energy: -246.602
where: short stacking energy: -89.326
Base-Backbone interact. energy: -0.644
local terms energy: -104.375170
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -26.060
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: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -324.893455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.893455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.893455 (E_RNA)
where:
Base-Base interactions energy: -226.663
where: short stacking energy: -102.537
Base-Backbone interact. energy: -0.349
local terms energy: -97.881461
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -277.419027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.419027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.419027 (E_RNA)
where:
Base-Base interactions energy: -177.492
where: short stacking energy: -94.057
Base-Backbone interact. energy: -0.045
local terms energy: -99.881871
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -218.300852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.300852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.300852 (E_RNA)
where:
Base-Base interactions energy: -124.246
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.202
local terms energy: -93.853007
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -144.089832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.089832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.089832 (E_RNA)
where:
Base-Base interactions energy: -63.876
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.968
local terms energy: -79.245460
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -194.160266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.160266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.160266 (E_RNA)
where:
Base-Base interactions energy: -110.455
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.654
local terms energy: -83.051261
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -13.967
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: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -121.084710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.084710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.084710 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -31.656
Base-Backbone interact. energy: 0.534
local terms energy: -80.310595
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -13.866
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: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -418.121294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.121294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.121294 (E_RNA)
where:
Base-Base interactions energy: -290.450
where: short stacking energy: -115.417
Base-Backbone interact. energy: -0.088
local terms energy: -127.583433
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -38.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -358.602352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.602352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.602352 (E_RNA)
where:
Base-Base interactions energy: -241.436
where: short stacking energy: -102.502
Base-Backbone interact. energy: -0.304
local terms energy: -116.862294
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -25.207
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: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -355.402790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.402790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.402790 (E_RNA)
where:
Base-Base interactions energy: -244.532
where: short stacking energy: -107.706
Base-Backbone interact. energy: 0.999
local terms energy: -111.870475
where:
bonds (distance) C4'-P energy: -24.919
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -333.161585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.161585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.161585 (E_RNA)
where:
Base-Base interactions energy: -231.134
where: short stacking energy: -96.709
Base-Backbone interact. energy: -0.299
local terms energy: -101.728436
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -26.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -335.483040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.483040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.483040 (E_RNA)
where:
Base-Base interactions energy: -231.103
where: short stacking energy: -109.402
Base-Backbone interact. energy: -0.412
local terms energy: -103.968059
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -31.687
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -277.186544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.186544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.186544 (E_RNA)
where:
Base-Base interactions energy: -165.549
where: short stacking energy: -89.986
Base-Backbone interact. energy: -0.308
local terms energy: -111.329704
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -27.084
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: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -133.345061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.345061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.345061 (E_RNA)
where:
Base-Base interactions energy: -55.140
where: short stacking energy: -52.778
Base-Backbone interact. energy: 0.302
local terms energy: -78.507069
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -22.403
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: 0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -223.247559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.247559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.247559 (E_RNA)
where:
Base-Base interactions energy: -132.324
where: short stacking energy: -64.394
Base-Backbone interact. energy: 0.512
local terms energy: -91.435254
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -122.322697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.322697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.322697 (E_RNA)
where:
Base-Base interactions energy: -51.131
where: short stacking energy: -50.640
Base-Backbone interact. energy: -0.422
local terms energy: -70.769667
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -15.068
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: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -174.427781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.427781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.427781 (E_RNA)
where:
Base-Base interactions energy: -97.002
where: short stacking energy: -65.414
Base-Backbone interact. energy: -0.330
local terms energy: -77.095349
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -8.473
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: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -418.511925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.511925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.511925 (E_RNA)
where:
Base-Base interactions energy: -290.171
where: short stacking energy: -125.711
Base-Backbone interact. energy: -0.011
local terms energy: -128.329301
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -35.508
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: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -380.014212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.014212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.014212 (E_RNA)
where:
Base-Base interactions energy: -260.265
where: short stacking energy: -106.286
Base-Backbone interact. energy: 0.601
local terms energy: -120.349857
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -30.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -360.365181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.365181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.365181 (E_RNA)
where:
Base-Base interactions energy: -249.907
where: short stacking energy: -106.569
Base-Backbone interact. energy: -0.425
local terms energy: -110.033183
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -27.816
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: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -356.341721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.341721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.341721 (E_RNA)
where:
Base-Base interactions energy: -240.235
where: short stacking energy: -96.220
Base-Backbone interact. energy: -0.659
local terms energy: -115.447116
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -26.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -317.560926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.560926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.560926 (E_RNA)
where:
Base-Base interactions energy: -212.383
where: short stacking energy: -90.526
Base-Backbone interact. energy: 1.410
local terms energy: -106.587919
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -26.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -276.538581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.538581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.538581 (E_RNA)
where:
Base-Base interactions energy: -170.900
where: short stacking energy: -84.497
Base-Backbone interact. energy: -0.146
local terms energy: -105.493002
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -148.871227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.871227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.871227 (E_RNA)
where:
Base-Base interactions energy: -63.306
where: short stacking energy: -61.514
Base-Backbone interact. energy: -0.113
local terms energy: -85.452572
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -16.359
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: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -220.930524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.930524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.930524 (E_RNA)
where:
Base-Base interactions energy: -128.520
where: short stacking energy: -70.139
Base-Backbone interact. energy: -0.991
local terms energy: -91.419027
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -206.743643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.743643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.743643 (E_RNA)
where:
Base-Base interactions energy: -117.391
where: short stacking energy: -56.587
Base-Backbone interact. energy: -1.165
local terms energy: -88.187701
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -162.262313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.262313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.262313 (E_RNA)
where:
Base-Base interactions energy: -103.261
where: short stacking energy: -40.442
Base-Backbone interact. energy: -0.873
local terms energy: -58.128774
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: 5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -419.853094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.853094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.853094 (E_RNA)
where:
Base-Base interactions energy: -298.311
where: short stacking energy: -120.343
Base-Backbone interact. energy: -0.001
local terms energy: -121.540902
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -36.864
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: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -391.282806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.282806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.282806 (E_RNA)
where:
Base-Base interactions energy: -274.875
where: short stacking energy: -107.828
Base-Backbone interact. energy: 0.694
local terms energy: -117.101020
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -27.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -352.200768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.200768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.200768 (E_RNA)
where:
Base-Base interactions energy: -233.164
where: short stacking energy: -105.579
Base-Backbone interact. energy: -0.038
local terms energy: -118.998958
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -34.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -345.432045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.432045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.432045 (E_RNA)
where:
Base-Base interactions energy: -234.054
where: short stacking energy: -102.604
Base-Backbone interact. energy: -0.324
local terms energy: -111.054402
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -311.949227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.949227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.949227 (E_RNA)
where:
Base-Base interactions energy: -199.508
where: short stacking energy: -93.290
Base-Backbone interact. energy: -0.551
local terms energy: -111.890296
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -270.717710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.717710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.717710 (E_RNA)
where:
Base-Base interactions energy: -179.388
where: short stacking energy: -77.188
Base-Backbone interact. energy: -0.238
local terms energy: -91.092148
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -245.009832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.009832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.009832 (E_RNA)
where:
Base-Base interactions energy: -157.954
where: short stacking energy: -65.106
Base-Backbone interact. energy: 1.342
local terms energy: -88.397428
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -122.785965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.785965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.785965 (E_RNA)
where:
Base-Base interactions energy: -52.205
where: short stacking energy: -33.733
Base-Backbone interact. energy: -0.305
local terms energy: -70.276501
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -213.195700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.195700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.195700 (E_RNA)
where:
Base-Base interactions energy: -137.577
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.450
local terms energy: -75.168654
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -7.900
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: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -176.127604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.127604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.127604 (E_RNA)
where:
Base-Base interactions energy: -105.819
where: short stacking energy: -48.640
Base-Backbone interact. energy: 1.879
local terms energy: -72.187583
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -415.848649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.848649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.848649 (E_RNA)
where:
Base-Base interactions energy: -289.953
where: short stacking energy: -114.356
Base-Backbone interact. energy: -1.061
local terms energy: -124.834831
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -37.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -393.996479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.996479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.996479 (E_RNA)
where:
Base-Base interactions energy: -282.778
where: short stacking energy: -100.573
Base-Backbone interact. energy: 0.363
local terms energy: -111.581576
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -26.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -356.242136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.242136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.242136 (E_RNA)
where:
Base-Base interactions energy: -241.252
where: short stacking energy: -106.234
Base-Backbone interact. energy: -0.024
local terms energy: -114.966689
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -24.693
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -30.522
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: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -331.524829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.524829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.524829 (E_RNA)
where:
Base-Base interactions energy: -217.426
where: short stacking energy: -99.780
Base-Backbone interact. energy: -1.833
local terms energy: -112.265744
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -29.177
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: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -360.485944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.485944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.485944 (E_RNA)
where:
Base-Base interactions energy: -253.005
where: short stacking energy: -103.913
Base-Backbone interact. energy: -0.298
local terms energy: -107.182871
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -29.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -281.497297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.497297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.497297 (E_RNA)
where:
Base-Base interactions energy: -188.549
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.035
local terms energy: -92.912942
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -23.666
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: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -247.988218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.988218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.988218 (E_RNA)
where:
Base-Base interactions energy: -146.205
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.983
local terms energy: -100.800194
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -18.559
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: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -201.035106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.035106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.035106 (E_RNA)
where:
Base-Base interactions energy: -130.841
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.355
local terms energy: -69.838702
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -122.589975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.589975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.589975 (E_RNA)
where:
Base-Base interactions energy: -51.840
where: short stacking energy: -38.670
Base-Backbone interact. energy: 0.405
local terms energy: -71.154785
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -9.250
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: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -192.224838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.224838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.224838 (E_RNA)
where:
Base-Base interactions energy: -113.843
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.090
local terms energy: -78.292095
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -396.137479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.137479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.137479 (E_RNA)
where:
Base-Base interactions energy: -290.210
where: short stacking energy: -111.862
Base-Backbone interact. energy: 2.398
local terms energy: -108.325483
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -26.756
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: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -407.564621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.564621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.564621 (E_RNA)
where:
Base-Base interactions energy: -286.866
where: short stacking energy: -116.415
Base-Backbone interact. energy: -0.356
local terms energy: -120.341665
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -33.048
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: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -330.976066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.976066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.976066 (E_RNA)
where:
Base-Base interactions energy: -219.655
where: short stacking energy: -99.070
Base-Backbone interact. energy: -0.112
local terms energy: -111.208645
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -341.580230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.580230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.580230 (E_RNA)
where:
Base-Base interactions energy: -234.372
where: short stacking energy: -95.246
Base-Backbone interact. energy: -0.044
local terms energy: -107.163474
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -27.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -353.105205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.105205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.105205 (E_RNA)
where:
Base-Base interactions energy: -251.450
where: short stacking energy: -95.135
Base-Backbone interact. energy: -0.292
local terms energy: -101.363589
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -23.473
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: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -268.437000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.437000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.437000 (E_RNA)
where:
Base-Base interactions energy: -174.591
where: short stacking energy: -77.717
Base-Backbone interact. energy: -0.115
local terms energy: -93.730913
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -15.512
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: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -240.930190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.930190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.930190 (E_RNA)
where:
Base-Base interactions energy: -154.694
where: short stacking energy: -61.237
Base-Backbone interact. energy: 1.205
local terms energy: -87.440912
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -203.135936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.135936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.135936 (E_RNA)
where:
Base-Base interactions energy: -115.974
where: short stacking energy: -59.216
Base-Backbone interact. energy: -1.208
local terms energy: -85.953669
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -10.237
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -179.685805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.685805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.685805 (E_RNA)
where:
Base-Base interactions energy: -92.573
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.498
local terms energy: -86.614054
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -113.692670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.692670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.692670 (E_RNA)
where:
Base-Base interactions energy: -53.197
where: short stacking energy: -42.034
Base-Backbone interact. energy: 1.678
local terms energy: -62.173829
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -13.552
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: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -409.352107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.352107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.352107 (E_RNA)
where:
Base-Base interactions energy: -287.339
where: short stacking energy: -117.297
Base-Backbone interact. energy: 2.731
local terms energy: -124.744066
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -414.546896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.546896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.546896 (E_RNA)
where:
Base-Base interactions energy: -295.056
where: short stacking energy: -121.429
Base-Backbone interact. energy: -0.534
local terms energy: -118.956481
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -37.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -356.099337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.099337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.099337 (E_RNA)
where:
Base-Base interactions energy: -238.810
where: short stacking energy: -109.828
Base-Backbone interact. energy: -0.115
local terms energy: -117.174585
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -33.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -357.408055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.408055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.408055 (E_RNA)
where:
Base-Base interactions energy: -235.870
where: short stacking energy: -108.766
Base-Backbone interact. energy: -0.107
local terms energy: -121.431372
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -29.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -364.277635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.277635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.277635 (E_RNA)
where:
Base-Base interactions energy: -257.893
where: short stacking energy: -102.824
Base-Backbone interact. energy: -0.494
local terms energy: -105.890856
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -26.393
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: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -248.936015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.936015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.936015 (E_RNA)
where:
Base-Base interactions energy: -145.081
where: short stacking energy: -74.756
Base-Backbone interact. energy: -0.276
local terms energy: -103.579259
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -18.729
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: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -220.347960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.347960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.347960 (E_RNA)
where:
Base-Base interactions energy: -126.922
where: short stacking energy: -69.046
Base-Backbone interact. energy: 0.458
local terms energy: -93.883520
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -12.739
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: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -218.452935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.452935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452935 (E_RNA)
where:
Base-Base interactions energy: -126.289
where: short stacking energy: -71.306
Base-Backbone interact. energy: -0.511
local terms energy: -91.652971
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -211.065039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.065039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.065039 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -59.003
Base-Backbone interact. energy: -1.375
local terms energy: -101.853511
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -15.654
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: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -107.182742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.182742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.182742 (E_RNA)
where:
Base-Base interactions energy: -36.419
where: short stacking energy: -32.084
Base-Backbone interact. energy: -0.166
local terms energy: -70.597637
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -413.065492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.065492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.065492 (E_RNA)
where:
Base-Base interactions energy: -279.829
where: short stacking energy: -110.244
Base-Backbone interact. energy: -0.212
local terms energy: -133.023985
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -36.987
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: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -390.307555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.307555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.307555 (E_RNA)
where:
Base-Base interactions energy: -271.327
where: short stacking energy: -108.272
Base-Backbone interact. energy: -0.476
local terms energy: -118.504686
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -31.718
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: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -350.233251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.233251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.233251 (E_RNA)
where:
Base-Base interactions energy: -227.123
where: short stacking energy: -107.147
Base-Backbone interact. energy: -1.233
local terms energy: -121.877030
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -353.311069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.311069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.311069 (E_RNA)
where:
Base-Base interactions energy: -246.938
where: short stacking energy: -110.651
Base-Backbone interact. energy: -0.335
local terms energy: -106.037985
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -29.168
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: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -345.546303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.546303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.546303 (E_RNA)
where:
Base-Base interactions energy: -235.194
where: short stacking energy: -83.177
Base-Backbone interact. energy: -0.436
local terms energy: -109.915504
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -243.765447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.765447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.765447 (E_RNA)
where:
Base-Base interactions energy: -161.647
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.799
local terms energy: -81.319811
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -273.413842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.413842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.413842 (E_RNA)
where:
Base-Base interactions energy: -169.236
where: short stacking energy: -81.452
Base-Backbone interact. energy: -0.101
local terms energy: -104.076669
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -27.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -202.594184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.594184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.594184 (E_RNA)
where:
Base-Base interactions energy: -123.435
where: short stacking energy: -71.025
Base-Backbone interact. energy: -0.273
local terms energy: -78.886920
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -221.449248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.449248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.449248 (E_RNA)
where:
Base-Base interactions energy: -133.538
where: short stacking energy: -58.259
Base-Backbone interact. energy: 0.945
local terms energy: -88.855707
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -104.532935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.532935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.532935 (E_RNA)
where:
Base-Base interactions energy: -30.316
where: short stacking energy: -22.035
Base-Backbone interact. energy: 1.234
local terms energy: -75.451209
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -416.828121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.828121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.828121 (E_RNA)
where:
Base-Base interactions energy: -296.471
where: short stacking energy: -109.704
Base-Backbone interact. energy: -0.004
local terms energy: -120.353132
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -37.178
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: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -389.626994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.626994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.626994 (E_RNA)
where:
Base-Base interactions energy: -281.246
where: short stacking energy: -114.959
Base-Backbone interact. energy: 1.568
local terms energy: -109.949077
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -31.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -374.812532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.812532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.812532 (E_RNA)
where:
Base-Base interactions energy: -258.721
where: short stacking energy: -111.319
Base-Backbone interact. energy: -1.031
local terms energy: -115.060208
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -31.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -355.936773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.936773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.936773 (E_RNA)
where:
Base-Base interactions energy: -238.633
where: short stacking energy: -102.841
Base-Backbone interact. energy: -0.737
local terms energy: -116.566012
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -29.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -344.549664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.549664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.549664 (E_RNA)
where:
Base-Base interactions energy: -233.719
where: short stacking energy: -97.232
Base-Backbone interact. energy: -0.426
local terms energy: -110.405567
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -267.996600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.996600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.996600 (E_RNA)
where:
Base-Base interactions energy: -158.222
where: short stacking energy: -83.090
Base-Backbone interact. energy: -0.097
local terms energy: -109.677539
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -236.595219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.595219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.595219 (E_RNA)
where:
Base-Base interactions energy: -146.474
where: short stacking energy: -70.490
Base-Backbone interact. energy: -1.737
local terms energy: -88.384260
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -206.169415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169415 (E_RNA)
where:
Base-Base interactions energy: -120.920
where: short stacking energy: -56.080
Base-Backbone interact. energy: -0.210
local terms energy: -85.039610
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -8.458
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: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -189.176447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.176447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.176447 (E_RNA)
where:
Base-Base interactions energy: -103.068
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.436
local terms energy: -85.673028
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -120.894556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.894556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.894556 (E_RNA)
where:
Base-Base interactions energy: -43.121
where: short stacking energy: -37.827
Base-Backbone interact. energy: -0.516
local terms energy: -77.258182
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -422.102075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.102075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.102075 (E_RNA)
where:
Base-Base interactions energy: -302.322
where: short stacking energy: -128.327
Base-Backbone interact. energy: -0.001
local terms energy: -119.779309
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -36.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -399.331478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.331478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.331478 (E_RNA)
where:
Base-Base interactions energy: -284.598
where: short stacking energy: -116.848
Base-Backbone interact. energy: -0.304
local terms energy: -114.429924
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -30.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -355.283084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.283084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.283084 (E_RNA)
where:
Base-Base interactions energy: -238.500
where: short stacking energy: -111.675
Base-Backbone interact. energy: 0.514
local terms energy: -117.296916
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -34.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -367.593919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.593919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.593919 (E_RNA)
where:
Base-Base interactions energy: -256.406
where: short stacking energy: -102.190
Base-Backbone interact. energy: -0.105
local terms energy: -111.083674
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -25.520
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: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -363.012020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.012020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.012020 (E_RNA)
where:
Base-Base interactions energy: -254.104
where: short stacking energy: -97.108
Base-Backbone interact. energy: -0.402
local terms energy: -108.506212
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -28.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -259.257909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.257909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.257909 (E_RNA)
where:
Base-Base interactions energy: -168.527
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.549
local terms energy: -90.181495
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -237.574487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.574487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.574487 (E_RNA)
where:
Base-Base interactions energy: -148.048
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.347
local terms energy: -89.179928
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -197.116036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.116036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.116036 (E_RNA)
where:
Base-Base interactions energy: -115.568
where: short stacking energy: -62.261
Base-Backbone interact. energy: -0.590
local terms energy: -80.957651
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -172.305060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.305060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.305060 (E_RNA)
where:
Base-Base interactions energy: -103.007
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.162
local terms energy: -69.135761
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -116.199766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.199766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.199766 (E_RNA)
where:
Base-Base interactions energy: -58.570
where: short stacking energy: -41.543
Base-Backbone interact. energy: 1.160
local terms energy: -58.789836
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -1.909
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -420.233869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.233869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.233869 (E_RNA)
where:
Base-Base interactions energy: -298.795
where: short stacking energy: -119.667
Base-Backbone interact. energy: -0.136
local terms energy: -121.302514
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -34.942
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: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -392.067572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.067572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.067572 (E_RNA)
where:
Base-Base interactions energy: -279.543
where: short stacking energy: -116.748
Base-Backbone interact. energy: 1.364
local terms energy: -113.888277
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -28.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -340.254902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.254902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.254902 (E_RNA)
where:
Base-Base interactions energy: -233.102
where: short stacking energy: -101.794
Base-Backbone interact. energy: 0.275
local terms energy: -107.428119
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -31.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -365.129761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.129761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.129761 (E_RNA)
where:
Base-Base interactions energy: -261.422
where: short stacking energy: -97.042
Base-Backbone interact. energy: -0.212
local terms energy: -103.495118
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -30.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -343.341369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.341369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.341369 (E_RNA)
where:
Base-Base interactions energy: -234.098
where: short stacking energy: -97.713
Base-Backbone interact. energy: -0.598
local terms energy: -108.644899
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -27.991
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -261.135641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.135641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.135641 (E_RNA)
where:
Base-Base interactions energy: -163.767
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.390
local terms energy: -96.978480
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -12.183
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: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -238.082604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.082604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.082604 (E_RNA)
where:
Base-Base interactions energy: -147.742
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.349
local terms energy: -89.991086
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -8.861
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: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -190.022397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.022397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.022397 (E_RNA)
where:
Base-Base interactions energy: -111.290
where: short stacking energy: -54.968
Base-Backbone interact. energy: -0.391
local terms energy: -78.341756
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -8.821
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: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -180.333439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.333439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.333439 (E_RNA)
where:
Base-Base interactions energy: -102.237
where: short stacking energy: -54.801
Base-Backbone interact. energy: -0.187
local terms energy: -77.908441
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -151.280497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.280497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.280497 (E_RNA)
where:
Base-Base interactions energy: -81.024
where: short stacking energy: -52.975
Base-Backbone interact. energy: -0.163
local terms energy: -70.093495
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -421.297692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.297692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.297692 (E_RNA)
where:
Base-Base interactions energy: -297.799
where: short stacking energy: -126.165
Base-Backbone interact. energy: -0.419
local terms energy: -123.079782
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -37.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -402.141455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.141455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.141455 (E_RNA)
where:
Base-Base interactions energy: -295.318
where: short stacking energy: -116.881
Base-Backbone interact. energy: -0.757
local terms energy: -106.066116
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -30.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -372.856473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.856473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.856473 (E_RNA)
where:
Base-Base interactions energy: -264.950
where: short stacking energy: -105.935
Base-Backbone interact. energy: 0.918
local terms energy: -108.825051
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -27.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -343.773455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.773455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.773455 (E_RNA)
where:
Base-Base interactions energy: -229.578
where: short stacking energy: -99.893
Base-Backbone interact. energy: -0.339
local terms energy: -113.857125
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -25.855
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: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -347.188410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.188410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.188410 (E_RNA)
where:
Base-Base interactions energy: -241.822
where: short stacking energy: -105.941
Base-Backbone interact. energy: -0.129
local terms energy: -105.237664
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -269.762549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.762549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.762549 (E_RNA)
where:
Base-Base interactions energy: -168.338
where: short stacking energy: -82.786
Base-Backbone interact. energy: -0.050
local terms energy: -101.375207
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -266.935650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.935650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.935650 (E_RNA)
where:
Base-Base interactions energy: -164.806
where: short stacking energy: -82.644
Base-Backbone interact. energy: -0.145
local terms energy: -101.984062
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -206.853605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.853605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.853605 (E_RNA)
where:
Base-Base interactions energy: -115.251
where: short stacking energy: -60.634
Base-Backbone interact. energy: 0.012
local terms energy: -91.614048
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -210.280097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.280097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.280097 (E_RNA)
where:
Base-Base interactions energy: -123.483
where: short stacking energy: -62.484
Base-Backbone interact. energy: 0.455
local terms energy: -87.251261
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -7.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -129.187141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.187141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.187141 (E_RNA)
where:
Base-Base interactions energy: -65.038
where: short stacking energy: -45.697
Base-Backbone interact. energy: -0.366
local terms energy: -63.782984
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -1.172
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: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -415.231067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.231067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.231067 (E_RNA)
where:
Base-Base interactions energy: -291.097
where: short stacking energy: -118.029
Base-Backbone interact. energy: 0.837
local terms energy: -124.971278
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -38.865
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: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -409.354794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.354794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.354794 (E_RNA)
where:
Base-Base interactions energy: -287.868
where: short stacking energy: -115.352
Base-Backbone interact. energy: -0.495
local terms energy: -120.992081
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -32.917
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: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -380.275480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.275480 (E_RNA)
where:
Base-Base interactions energy: -264.064
where: short stacking energy: -109.586
Base-Backbone interact. energy: -0.277
local terms energy: -115.935052
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -29.838
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: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -356.847519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.847519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.847519 (E_RNA)
where:
Base-Base interactions energy: -252.277
where: short stacking energy: -112.332
Base-Backbone interact. energy: -0.022
local terms energy: -104.547835
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -29.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -333.115043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.115043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.115043 (E_RNA)
where:
Base-Base interactions energy: -225.739
where: short stacking energy: -96.513
Base-Backbone interact. energy: -0.816
local terms energy: -106.560655
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -284.529511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.529511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.529511 (E_RNA)
where:
Base-Base interactions energy: -176.393
where: short stacking energy: -88.997
Base-Backbone interact. energy: -0.228
local terms energy: -107.908352
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -257.742896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.742896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.742896 (E_RNA)
where:
Base-Base interactions energy: -173.852
where: short stacking energy: -71.378
Base-Backbone interact. energy: -0.538
local terms energy: -83.353566
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -16.365
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: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -195.202692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.202692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.202692 (E_RNA)
where:
Base-Base interactions energy: -110.248
where: short stacking energy: -54.477
Base-Backbone interact. energy: -0.167
local terms energy: -84.787666
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -9.576
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: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -195.993392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.993392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.993392 (E_RNA)
where:
Base-Base interactions energy: -114.433
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.027
local terms energy: -81.533527
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -9.147
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: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -165.413667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.413667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.413667 (E_RNA)
where:
Base-Base interactions energy: -92.417
where: short stacking energy: -53.812
Base-Backbone interact. energy: 2.035
local terms energy: -75.031166
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -415.937589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.937589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.937589 (E_RNA)
where:
Base-Base interactions energy: -292.675
where: short stacking energy: -117.905
Base-Backbone interact. energy: -0.850
local terms energy: -122.412959
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -38.222
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: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -398.857516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.857516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.857516 (E_RNA)
where:
Base-Base interactions energy: -285.535
where: short stacking energy: -106.396
Base-Backbone interact. energy: -0.506
local terms energy: -112.815642
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -350.342993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.342993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.342993 (E_RNA)
where:
Base-Base interactions energy: -240.457
where: short stacking energy: -93.144
Base-Backbone interact. energy: -0.867
local terms energy: -109.019421
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -341.055996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.055996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.055996 (E_RNA)
where:
Base-Base interactions energy: -231.636
where: short stacking energy: -103.799
Base-Backbone interact. energy: -0.569
local terms energy: -108.851819
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -321.260714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.260714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.260714 (E_RNA)
where:
Base-Base interactions energy: -216.223
where: short stacking energy: -98.190
Base-Backbone interact. energy: -1.831
local terms energy: -103.206396
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -29.049
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: 320
Temperature: 1.150000
Total energy: -270.201695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.201695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.201695 (E_RNA)
where:
Base-Base interactions energy: -172.126
where: short stacking energy: -84.851
Base-Backbone interact. energy: -0.821
local terms energy: -97.254669
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -24.777
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -204.344243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.344243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.344243 (E_RNA)
where:
Base-Base interactions energy: -123.210
where: short stacking energy: -62.654
Base-Backbone interact. energy: -2.141
local terms energy: -78.993742
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -216.124550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.124550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.124550 (E_RNA)
where:
Base-Base interactions energy: -126.868
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.669
local terms energy: -88.587620
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -176.571179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.571179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.571179 (E_RNA)
where:
Base-Base interactions energy: -103.052
where: short stacking energy: -58.951
Base-Backbone interact. energy: 2.648
local terms energy: -76.166388
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -114.192045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.192045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.192045 (E_RNA)
where:
Base-Base interactions energy: -40.861
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.153
local terms energy: -73.178100
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: 2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -407.258047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.258047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.258047 (E_RNA)
where:
Base-Base interactions energy: -276.447
where: short stacking energy: -111.294
Base-Backbone interact. energy: -0.294
local terms energy: -130.517112
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -34.177
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -404.137640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.137640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.137640 (E_RNA)
where:
Base-Base interactions energy: -286.541
where: short stacking energy: -111.463
Base-Backbone interact. energy: -0.253
local terms energy: -117.344082
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -27.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -379.114552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.114552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.114552 (E_RNA)
where:
Base-Base interactions energy: -270.266
where: short stacking energy: -114.226
Base-Backbone interact. energy: -0.433
local terms energy: -108.415402
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -31.245
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: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -322.767010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.767010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.767010 (E_RNA)
where:
Base-Base interactions energy: -212.932
where: short stacking energy: -83.201
Base-Backbone interact. energy: -1.314
local terms energy: -108.520780
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -24.094
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: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -323.896718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.896718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.896718 (E_RNA)
where:
Base-Base interactions energy: -218.203
where: short stacking energy: -81.623
Base-Backbone interact. energy: 2.662
local terms energy: -108.356304
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -271.821210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.821210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.821210 (E_RNA)
where:
Base-Base interactions energy: -175.352
where: short stacking energy: -91.538
Base-Backbone interact. energy: 2.327
local terms energy: -98.796216
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -223.467082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.467082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467082 (E_RNA)
where:
Base-Base interactions energy: -133.182
where: short stacking energy: -60.245
Base-Backbone interact. energy: -1.401
local terms energy: -88.884186
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -8.011
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: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -237.327477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.327477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.327477 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.491
local terms energy: -97.052509
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -14.535
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: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -208.010804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.010804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.010804 (E_RNA)
where:
Base-Base interactions energy: -123.100
where: short stacking energy: -64.332
Base-Backbone interact. energy: 1.129
local terms energy: -86.039837
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -15.615
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: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -122.529554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.529554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.529554 (E_RNA)
where:
Base-Base interactions energy: -42.278
where: short stacking energy: -42.278
Base-Backbone interact. energy: -0.129
local terms energy: -80.122870
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -14.707
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: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -410.000074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.000074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.000074 (E_RNA)
where:
Base-Base interactions energy: -284.335
where: short stacking energy: -114.781
Base-Backbone interact. energy: -0.266
local terms energy: -125.399450
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -35.482
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: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -401.125572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.125572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.125572 (E_RNA)
where:
Base-Base interactions energy: -283.849
where: short stacking energy: -109.801
Base-Backbone interact. energy: -0.614
local terms energy: -116.662801
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -26.764
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -31.648
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: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -371.904401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.904401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.904401 (E_RNA)
where:
Base-Base interactions energy: -261.084
where: short stacking energy: -101.337
Base-Backbone interact. energy: -0.376
local terms energy: -110.444143
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -28.151
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: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -330.581838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.581838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.581838 (E_RNA)
where:
Base-Base interactions energy: -231.582
where: short stacking energy: -95.458
Base-Backbone interact. energy: -0.109
local terms energy: -98.891257
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -28.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -335.588998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.588998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.588998 (E_RNA)
where:
Base-Base interactions energy: -225.840
where: short stacking energy: -84.888
Base-Backbone interact. energy: -0.912
local terms energy: -108.836902
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -274.282377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.282377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.282377 (E_RNA)
where:
Base-Base interactions energy: -167.684
where: short stacking energy: -83.904
Base-Backbone interact. energy: -0.611
local terms energy: -105.987218
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -10.600
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: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -244.472464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.472464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.472464 (E_RNA)
where:
Base-Base interactions energy: -152.573
where: short stacking energy: -75.093
Base-Backbone interact. energy: -0.280
local terms energy: -91.619203
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -188.506870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.506870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.506870 (E_RNA)
where:
Base-Base interactions energy: -100.863
where: short stacking energy: -50.049
Base-Backbone interact. energy: -0.672
local terms energy: -86.971290
where:
bonds (distance) C4'-P energy: -26.229
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -185.692677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.692677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.692677 (E_RNA)
where:
Base-Base interactions energy: -102.528
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.245
local terms energy: -82.918829
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -116.619248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.619248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.619248 (E_RNA)
where:
Base-Base interactions energy: -43.696
where: short stacking energy: -40.261
Base-Backbone interact. energy: -0.453
local terms energy: -72.470064
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -413.092968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.092968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.092968 (E_RNA)
where:
Base-Base interactions energy: -288.247
where: short stacking energy: -120.832
Base-Backbone interact. energy: -0.009
local terms energy: -124.836495
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -38.046
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: 323
Temperature: 0.950000
Total energy: -397.950341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.950341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.950341 (E_RNA)
where:
Base-Base interactions energy: -278.839
where: short stacking energy: -101.497
Base-Backbone interact. energy: -1.246
local terms energy: -117.865831
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -378.055811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.055811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.055811 (E_RNA)
where:
Base-Base interactions energy: -269.593
where: short stacking energy: -106.302
Base-Backbone interact. energy: -0.573
local terms energy: -107.889406
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -26.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -358.670003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.670003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.670003 (E_RNA)
where:
Base-Base interactions energy: -253.796
where: short stacking energy: -106.731
Base-Backbone interact. energy: -0.085
local terms energy: -104.789217
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -335.214100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.214100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.214100 (E_RNA)
where:
Base-Base interactions energy: -228.927
where: short stacking energy: -94.976
Base-Backbone interact. energy: -0.368
local terms energy: -105.918573
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -26.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -248.310041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.310041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.310041 (E_RNA)
where:
Base-Base interactions energy: -164.731
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.185
local terms energy: -83.393267
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -11.438
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -257.825302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.825302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.825302 (E_RNA)
where:
Base-Base interactions energy: -160.553
where: short stacking energy: -80.973
Base-Backbone interact. energy: -0.055
local terms energy: -97.216663
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -17.824
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: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -200.787255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.787255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.787255 (E_RNA)
where:
Base-Base interactions energy: -113.548
where: short stacking energy: -60.892
Base-Backbone interact. energy: 0.710
local terms energy: -87.949930
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -190.022863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.022863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.022863 (E_RNA)
where:
Base-Base interactions energy: -104.166
where: short stacking energy: -55.016
Base-Backbone interact. energy: -0.360
local terms energy: -85.496619
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -13.116
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: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -112.007882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.007882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.007882 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -36.144
Base-Backbone interact. energy: -0.989
local terms energy: -69.216102
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -419.088653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.088653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.088653 (E_RNA)
where:
Base-Base interactions energy: -295.810
where: short stacking energy: -124.451
Base-Backbone interact. energy: -0.045
local terms energy: -123.233302
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -39.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -396.790496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.790496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.790496 (E_RNA)
where:
Base-Base interactions energy: -277.918
where: short stacking energy: -110.417
Base-Backbone interact. energy: -0.625
local terms energy: -118.246941
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -30.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -369.832000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.832000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.832000 (E_RNA)
where:
Base-Base interactions energy: -261.402
where: short stacking energy: -103.840
Base-Backbone interact. energy: -0.643
local terms energy: -107.787340
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -368.086665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.086665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.086665 (E_RNA)
where:
Base-Base interactions energy: -267.952
where: short stacking energy: -107.343
Base-Backbone interact. energy: -0.106
local terms energy: -100.027879
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -29.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -320.824324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.824324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.824324 (E_RNA)
where:
Base-Base interactions energy: -212.006
where: short stacking energy: -91.849
Base-Backbone interact. energy: 0.572
local terms energy: -109.391071
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -28.918
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: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -250.216826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.216826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.216826 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -71.751
Base-Backbone interact. energy: 0.550
local terms energy: -97.038282
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -18.065
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: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -243.606084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.606084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.606084 (E_RNA)
where:
Base-Base interactions energy: -153.060
where: short stacking energy: -80.645
Base-Backbone interact. energy: 1.457
local terms energy: -92.003128
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -16.309
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: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -194.874486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.874486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.874486 (E_RNA)
where:
Base-Base interactions energy: -112.635
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.151
local terms energy: -82.089275
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -186.034522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.034522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.034522 (E_RNA)
where:
Base-Base interactions energy: -108.948
where: short stacking energy: -62.997
Base-Backbone interact. energy: 2.355
local terms energy: -79.441235
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -10.107
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: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -119.261084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.261084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.261084 (E_RNA)
where:
Base-Base interactions energy: -47.871
where: short stacking energy: -41.300
Base-Backbone interact. energy: 0.951
local terms energy: -72.341547
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -411.745939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.745939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.745939 (E_RNA)
where:
Base-Base interactions energy: -276.838
where: short stacking energy: -112.491
Base-Backbone interact. energy: -0.097
local terms energy: -134.810238
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -37.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -391.512879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.512879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.512879 (E_RNA)
where:
Base-Base interactions energy: -286.275
where: short stacking energy: -109.471
Base-Backbone interact. energy: 0.083
local terms energy: -105.320252
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -23.871
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -398.390666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.390666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.390666 (E_RNA)
where:
Base-Base interactions energy: -277.344
where: short stacking energy: -107.501
Base-Backbone interact. energy: -1.072
local terms energy: -119.974247
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -356.585664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.585664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.585664 (E_RNA)
where:
Base-Base interactions energy: -247.834
where: short stacking energy: -111.641
Base-Backbone interact. energy: -0.007
local terms energy: -108.744639
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -31.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -317.313372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.313372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.313372 (E_RNA)
where:
Base-Base interactions energy: -212.816
where: short stacking energy: -88.566
Base-Backbone interact. energy: 4.010
local terms energy: -108.507309
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -22.477
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: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -255.443727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.443727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.443727 (E_RNA)
where:
Base-Base interactions energy: -148.407
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.043
local terms energy: -106.993531
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -15.974
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: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -228.707621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.707621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.707621 (E_RNA)
where:
Base-Base interactions energy: -147.508
where: short stacking energy: -76.905
Base-Backbone interact. energy: -0.932
local terms energy: -80.267134
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -13.319
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: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -192.358913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.358913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.358913 (E_RNA)
where:
Base-Base interactions energy: -113.724
where: short stacking energy: -61.728
Base-Backbone interact. energy: 0.172
local terms energy: -78.807425
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -8.456
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: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -192.558867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.558867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.558867 (E_RNA)
where:
Base-Base interactions energy: -106.491
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.111
local terms energy: -85.956251
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -9.379
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: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -120.100331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.100331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.100331 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.177
local terms energy: -74.058764
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -421.946784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.946784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.946784 (E_RNA)
where:
Base-Base interactions energy: -294.032
where: short stacking energy: -110.805
Base-Backbone interact. energy: -0.018
local terms energy: -127.897334
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -37.383
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: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -387.658468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.658468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.658468 (E_RNA)
where:
Base-Base interactions energy: -272.866
where: short stacking energy: -103.960
Base-Backbone interact. energy: -0.079
local terms energy: -114.713467
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -28.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -386.139826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.139826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.139826 (E_RNA)
where:
Base-Base interactions energy: -284.510
where: short stacking energy: -105.481
Base-Backbone interact. energy: -0.535
local terms energy: -101.094023
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -30.747
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: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -359.994722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.994722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.994722 (E_RNA)
where:
Base-Base interactions energy: -246.242
where: short stacking energy: -111.647
Base-Backbone interact. energy: 2.423
local terms energy: -116.175912
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -33.397
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: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -332.189779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.189779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.189779 (E_RNA)
where:
Base-Base interactions energy: -225.220
where: short stacking energy: -104.040
Base-Backbone interact. energy: -0.236
local terms energy: -106.733797
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -30.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -281.878787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.878787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.878787 (E_RNA)
where:
Base-Base interactions energy: -180.721
where: short stacking energy: -85.493
Base-Backbone interact. energy: 2.386
local terms energy: -103.543515
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -28.040
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -232.188188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.188188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.188188 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -73.813
Base-Backbone interact. energy: -1.093
local terms energy: -86.873435
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -11.604
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: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -226.959878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.959878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.959878 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.423
local terms energy: -87.390195
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -179.077056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.077056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.077056 (E_RNA)
where:
Base-Base interactions energy: -96.005
where: short stacking energy: -49.795
Base-Backbone interact. energy: -0.487
local terms energy: -82.585067
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -15.473
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -106.148614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.148614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.148614 (E_RNA)
where:
Base-Base interactions energy: -37.167
where: short stacking energy: -33.125
Base-Backbone interact. energy: 0.584
local terms energy: -69.565825
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -409.547684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.547684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.547684 (E_RNA)
where:
Base-Base interactions energy: -287.009
where: short stacking energy: -113.536
Base-Backbone interact. energy: -0.039
local terms energy: -122.499917
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -32.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -389.313284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.313284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.313284 (E_RNA)
where:
Base-Base interactions energy: -276.046
where: short stacking energy: -105.468
Base-Backbone interact. energy: -1.130
local terms energy: -112.137481
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -26.584
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: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -385.666275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.666275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.666275 (E_RNA)
where:
Base-Base interactions energy: -282.892
where: short stacking energy: -102.445
Base-Backbone interact. energy: -0.616
local terms energy: -102.157860
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -29.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -351.252117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.252117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.252117 (E_RNA)
where:
Base-Base interactions energy: -249.443
where: short stacking energy: -105.568
Base-Backbone interact. energy: -0.600
local terms energy: -101.209778
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -30.064
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: 327
Temperature: 1.100000
Total energy: -313.684427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.684427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.684427 (E_RNA)
where:
Base-Base interactions energy: -210.269
where: short stacking energy: -97.609
Base-Backbone interact. energy: -0.858
local terms energy: -102.557650
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -269.479735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.479735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.479735 (E_RNA)
where:
Base-Base interactions energy: -164.742
where: short stacking energy: -77.853
Base-Backbone interact. energy: 0.018
local terms energy: -104.755830
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -27.491
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -206.216860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.216860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.216860 (E_RNA)
where:
Base-Base interactions energy: -137.449
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.175
local terms energy: -68.593726
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -201.831011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.831011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.831011 (E_RNA)
where:
Base-Base interactions energy: -122.150
where: short stacking energy: -59.629
Base-Backbone interact. energy: 2.154
local terms energy: -81.834346
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -221.619962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.619962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.619962 (E_RNA)
where:
Base-Base interactions energy: -138.817
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.618
local terms energy: -82.185264
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -19.115
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: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -126.650703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.650703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.650703 (E_RNA)
where:
Base-Base interactions energy: -42.819
where: short stacking energy: -37.199
Base-Backbone interact. energy: -1.088
local terms energy: -82.744381
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -6.999
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: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -412.923718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.923718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.923718 (E_RNA)
where:
Base-Base interactions energy: -285.415
where: short stacking energy: -119.464
Base-Backbone interact. energy: -0.038
local terms energy: -127.470051
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -37.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -391.606092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.606092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.606092 (E_RNA)
where:
Base-Base interactions energy: -274.231
where: short stacking energy: -105.120
Base-Backbone interact. energy: -1.041
local terms energy: -116.333297
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -26.654
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -351.068926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.068926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.068926 (E_RNA)
where:
Base-Base interactions energy: -244.150
where: short stacking energy: -102.015
Base-Backbone interact. energy: -0.485
local terms energy: -106.433805
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -368.192658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.192658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.192658 (E_RNA)
where:
Base-Base interactions energy: -263.713
where: short stacking energy: -100.729
Base-Backbone interact. energy: -0.650
local terms energy: -103.830550
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -313.110172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.110172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.110172 (E_RNA)
where:
Base-Base interactions energy: -212.804
where: short stacking energy: -86.704
Base-Backbone interact. energy: -1.307
local terms energy: -98.998881
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -18.171
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: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -274.202600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.202600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.202600 (E_RNA)
where:
Base-Base interactions energy: -174.078
where: short stacking energy: -88.880
Base-Backbone interact. energy: -0.147
local terms energy: -99.977653
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -24.955
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: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -206.968448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.968448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.968448 (E_RNA)
where:
Base-Base interactions energy: -124.786
where: short stacking energy: -77.086
Base-Backbone interact. energy: -1.481
local terms energy: -80.701295
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -26.479
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -215.092411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.092411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092411 (E_RNA)
where:
Base-Base interactions energy: -130.311
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.110
local terms energy: -84.670677
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -14.379
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -212.291662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.291662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.291662 (E_RNA)
where:
Base-Base interactions energy: -134.145
where: short stacking energy: -69.352
Base-Backbone interact. energy: -1.197
local terms energy: -76.949923
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -118.864073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.864073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.864073 (E_RNA)
where:
Base-Base interactions energy: -47.287
where: short stacking energy: -42.818
Base-Backbone interact. energy: -0.204
local terms energy: -71.372917
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -414.389734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.389734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.389734 (E_RNA)
where:
Base-Base interactions energy: -293.871
where: short stacking energy: -123.160
Base-Backbone interact. energy: -0.604
local terms energy: -119.913960
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -37.774
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: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -356.767391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.767391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.767391 (E_RNA)
where:
Base-Base interactions energy: -251.732
where: short stacking energy: -112.206
Base-Backbone interact. energy: -0.898
local terms energy: -104.136770
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -26.222
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: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -380.040362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.040362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.040362 (E_RNA)
where:
Base-Base interactions energy: -277.487
where: short stacking energy: -106.537
Base-Backbone interact. energy: -0.489
local terms energy: -102.064412
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -25.430
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: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -376.591963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.591963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.591963 (E_RNA)
where:
Base-Base interactions energy: -267.542
where: short stacking energy: -110.120
Base-Backbone interact. energy: -0.624
local terms energy: -108.425834
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -31.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -329.539347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.539347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.539347 (E_RNA)
where:
Base-Base interactions energy: -222.855
where: short stacking energy: -99.615
Base-Backbone interact. energy: 2.373
local terms energy: -109.057653
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -29.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -233.093355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.093355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.093355 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -69.981
Base-Backbone interact. energy: -0.180
local terms energy: -88.891797
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -270.763065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.763065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.763065 (E_RNA)
where:
Base-Base interactions energy: -170.012
where: short stacking energy: -91.584
Base-Backbone interact. energy: 0.354
local terms energy: -101.105807
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -20.047
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: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -214.884405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.884405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.884405 (E_RNA)
where:
Base-Base interactions energy: -133.346
where: short stacking energy: -63.984
Base-Backbone interact. energy: 0.900
local terms energy: -82.438614
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -206.482850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.482850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.482850 (E_RNA)
where:
Base-Base interactions energy: -140.760
where: short stacking energy: -71.548
Base-Backbone interact. energy: -0.885
local terms energy: -64.837630
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -1.935
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -113.744448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.744448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.744448 (E_RNA)
where:
Base-Base interactions energy: -40.104
where: short stacking energy: -36.339
Base-Backbone interact. energy: 0.404
local terms energy: -74.044449
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -426.666329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.666329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.666329 (E_RNA)
where:
Base-Base interactions energy: -306.586
where: short stacking energy: -124.246
Base-Backbone interact. energy: 0.320
local terms energy: -120.399767
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -36.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -353.003188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.003188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.003188 (E_RNA)
where:
Base-Base interactions energy: -239.406
where: short stacking energy: -98.915
Base-Backbone interact. energy: -0.571
local terms energy: -113.026049
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -24.946
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: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -390.032406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.032406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.032406 (E_RNA)
where:
Base-Base interactions energy: -277.157
where: short stacking energy: -109.196
Base-Backbone interact. energy: -0.003
local terms energy: -112.872430
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -28.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -368.195347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.195347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.195347 (E_RNA)
where:
Base-Base interactions energy: -265.607
where: short stacking energy: -104.900
Base-Backbone interact. energy: -0.417
local terms energy: -102.171128
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -361.670387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.670387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.670387 (E_RNA)
where:
Base-Base interactions energy: -249.455
where: short stacking energy: -99.144
Base-Backbone interact. energy: -0.317
local terms energy: -111.899008
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -25.274
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: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -209.986076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.986076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.986076 (E_RNA)
where:
Base-Base interactions energy: -119.115
where: short stacking energy: -61.781
Base-Backbone interact. energy: -0.194
local terms energy: -90.677306
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -8.092
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: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -271.603179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.603179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.603179 (E_RNA)
where:
Base-Base interactions energy: -174.055
where: short stacking energy: -83.246
Base-Backbone interact. energy: 0.829
local terms energy: -98.377768
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -20.360
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: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -224.108303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.108303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.108303 (E_RNA)
where:
Base-Base interactions energy: -136.726
where: short stacking energy: -81.977
Base-Backbone interact. energy: -0.040
local terms energy: -87.342635
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -235.080289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.080289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.080289 (E_RNA)
where:
Base-Base interactions energy: -139.351
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.235
local terms energy: -95.494456
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -17.589
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -123.782648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.782648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.782648 (E_RNA)
where:
Base-Base interactions energy: -41.781
where: short stacking energy: -35.048
Base-Backbone interact. energy: -0.422
local terms energy: -81.579199
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -415.769816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.769816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.769816 (E_RNA)
where:
Base-Base interactions energy: -286.387
where: short stacking energy: -119.595
Base-Backbone interact. energy: 0.878
local terms energy: -130.261270
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -36.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -389.787741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.787741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.787741 (E_RNA)
where:
Base-Base interactions energy: -277.044
where: short stacking energy: -107.897
Base-Backbone interact. energy: -0.837
local terms energy: -111.906882
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -26.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -355.764665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.764665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.764665 (E_RNA)
where:
Base-Base interactions energy: -237.253
where: short stacking energy: -88.420
Base-Backbone interact. energy: -1.651
local terms energy: -116.859935
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -26.905
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: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -353.834495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.834495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.834495 (E_RNA)
where:
Base-Base interactions energy: -254.043
where: short stacking energy: -94.902
Base-Backbone interact. energy: -0.075
local terms energy: -99.716943
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -28.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -365.299895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.299895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.299895 (E_RNA)
where:
Base-Base interactions energy: -254.570
where: short stacking energy: -95.120
Base-Backbone interact. energy: 0.442
local terms energy: -111.171952
where:
bonds (distance) C4'-P energy: -26.609
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -247.158834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.158834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.158834 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.311
local terms energy: -97.619204
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -181.433705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.433705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.433705 (E_RNA)
where:
Base-Base interactions energy: -102.240
where: short stacking energy: -56.877
Base-Backbone interact. energy: -1.762
local terms energy: -77.431808
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -241.716914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.716914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.716914 (E_RNA)
where:
Base-Base interactions energy: -150.409
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.255
local terms energy: -91.052978
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -13.039
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: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -174.734084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.734084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.734084 (E_RNA)
where:
Base-Base interactions energy: -95.977
where: short stacking energy: -41.395
Base-Backbone interact. energy: -0.302
local terms energy: -78.455241
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -3.238
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: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -111.005175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.005175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.005175 (E_RNA)
where:
Base-Base interactions energy: -37.411
where: short stacking energy: -37.840
Base-Backbone interact. energy: -0.018
local terms energy: -73.575507
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -4.807
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: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -415.180666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.180666 (E_RNA)
where:
Base-Base interactions energy: -281.212
where: short stacking energy: -112.259
Base-Backbone interact. energy: -0.763
local terms energy: -133.204929
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -36.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -380.457703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.457703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.457703 (E_RNA)
where:
Base-Base interactions energy: -269.629
where: short stacking energy: -96.582
Base-Backbone interact. energy: -0.409
local terms energy: -110.419592
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -27.615
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: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -374.278695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.278695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.278695 (E_RNA)
where:
Base-Base interactions energy: -266.772
where: short stacking energy: -107.565
Base-Backbone interact. energy: -0.277
local terms energy: -107.229806
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -28.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -356.378950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.378950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.378950 (E_RNA)
where:
Base-Base interactions energy: -246.620
where: short stacking energy: -106.357
Base-Backbone interact. energy: -0.139
local terms energy: -109.620628
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -28.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -369.491407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.491407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.491407 (E_RNA)
where:
Base-Base interactions energy: -257.896
where: short stacking energy: -98.735
Base-Backbone interact. energy: 0.138
local terms energy: -111.733271
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -28.784
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: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -242.889984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.889984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.889984 (E_RNA)
where:
Base-Base interactions energy: -153.881
where: short stacking energy: -80.623
Base-Backbone interact. energy: -0.220
local terms energy: -88.789364
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -13.586
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: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -288.630250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.630250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.630250 (E_RNA)
where:
Base-Base interactions energy: -190.204
where: short stacking energy: -86.911
Base-Backbone interact. energy: -0.108
local terms energy: -98.318504
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -13.865
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: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -190.560220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.560220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.560220 (E_RNA)
where:
Base-Base interactions energy: -104.763
where: short stacking energy: -55.621
Base-Backbone interact. energy: 0.834
local terms energy: -86.631006
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -185.359962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.359962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.359962 (E_RNA)
where:
Base-Base interactions energy: -103.549
where: short stacking energy: -44.879
Base-Backbone interact. energy: -0.538
local terms energy: -81.273028
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -102.414749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.414749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.414749 (E_RNA)
where:
Base-Base interactions energy: -35.555
where: short stacking energy: -35.422
Base-Backbone interact. energy: 2.282
local terms energy: -69.142392
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: 2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -418.271214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.271214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.271214 (E_RNA)
where:
Base-Base interactions energy: -281.614
where: short stacking energy: -117.382
Base-Backbone interact. energy: -0.157
local terms energy: -136.500063
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -39.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -390.758205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.758205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.758205 (E_RNA)
where:
Base-Base interactions energy: -276.226
where: short stacking energy: -106.702
Base-Backbone interact. energy: 2.724
local terms energy: -117.255613
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -28.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -369.090237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.090237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.090237 (E_RNA)
where:
Base-Base interactions energy: -254.040
where: short stacking energy: -107.756
Base-Backbone interact. energy: -0.718
local terms energy: -114.332110
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -372.789873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.789873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.789873 (E_RNA)
where:
Base-Base interactions energy: -262.487
where: short stacking energy: -104.058
Base-Backbone interact. energy: -1.098
local terms energy: -109.205069
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -344.006504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.006504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.006504 (E_RNA)
where:
Base-Base interactions energy: -225.684
where: short stacking energy: -94.478
Base-Backbone interact. energy: -0.234
local terms energy: -118.088063
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -267.050753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.050753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.050753 (E_RNA)
where:
Base-Base interactions energy: -177.284
where: short stacking energy: -80.216
Base-Backbone interact. energy: 0.513
local terms energy: -90.279737
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -15.612
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: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -267.172768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.172768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.172768 (E_RNA)
where:
Base-Base interactions energy: -172.969
where: short stacking energy: -82.254
Base-Backbone interact. energy: -0.648
local terms energy: -93.556178
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -196.069614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.069614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.069614 (E_RNA)
where:
Base-Base interactions energy: -109.734
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.351
local terms energy: -85.984810
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -191.288304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.288304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.288304 (E_RNA)
where:
Base-Base interactions energy: -100.133
where: short stacking energy: -50.081
Base-Backbone interact. energy: -0.410
local terms energy: -90.744841
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -126.453665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.453665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.453665 (E_RNA)
where:
Base-Base interactions energy: -53.054
where: short stacking energy: -30.209
Base-Backbone interact. energy: 0.668
local terms energy: -74.068121
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -14.819
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: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -416.431303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.431303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.431303 (E_RNA)
where:
Base-Base interactions energy: -296.665
where: short stacking energy: -128.664
Base-Backbone interact. energy: -0.012
local terms energy: -119.754573
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -34.868
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: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -416.149775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.149775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.149775 (E_RNA)
where:
Base-Base interactions energy: -293.220
where: short stacking energy: -113.217
Base-Backbone interact. energy: -0.554
local terms energy: -122.375741
where:
bonds (distance) C4'-P energy: -24.746
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -30.507
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: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -385.001026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.001026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.001026 (E_RNA)
where:
Base-Base interactions energy: -278.986
where: short stacking energy: -105.869
Base-Backbone interact. energy: -0.430
local terms energy: -105.584650
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -28.390
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: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -353.707406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.707406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.707406 (E_RNA)
where:
Base-Base interactions energy: -255.099
where: short stacking energy: -102.432
Base-Backbone interact. energy: -0.295
local terms energy: -98.313056
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -348.499355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.499355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.499355 (E_RNA)
where:
Base-Base interactions energy: -237.784
where: short stacking energy: -109.597
Base-Backbone interact. energy: -0.003
local terms energy: -110.712190
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -30.547
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: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -260.215492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.215492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.215492 (E_RNA)
where:
Base-Base interactions energy: -166.590
where: short stacking energy: -83.068
Base-Backbone interact. energy: -0.952
local terms energy: -92.674161
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -16.623
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: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -260.715797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.715797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.715797 (E_RNA)
where:
Base-Base interactions energy: -162.910
where: short stacking energy: -75.208
Base-Backbone interact. energy: -0.490
local terms energy: -97.315268
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -21.138
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: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -188.175149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.175149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.175149 (E_RNA)
where:
Base-Base interactions energy: -100.838
where: short stacking energy: -45.745
Base-Backbone interact. energy: 0.176
local terms energy: -87.513517
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -201.374955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.374955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.374955 (E_RNA)
where:
Base-Base interactions energy: -113.491
where: short stacking energy: -57.956
Base-Backbone interact. energy: 0.383
local terms energy: -88.266590
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -114.168509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.168509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.168509 (E_RNA)
where:
Base-Base interactions energy: -45.268
where: short stacking energy: -34.032
Base-Backbone interact. energy: -0.268
local terms energy: -68.632237
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: 3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -413.046292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.046292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.046292 (E_RNA)
where:
Base-Base interactions energy: -287.421
where: short stacking energy: -115.093
Base-Backbone interact. energy: 1.121
local terms energy: -126.746921
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -38.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -375.627720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.627720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.627720 (E_RNA)
where:
Base-Base interactions energy: -267.398
where: short stacking energy: -106.273
Base-Backbone interact. energy: -0.518
local terms energy: -107.711768
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -25.919
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -26.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -363.293603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.293603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.293603 (E_RNA)
where:
Base-Base interactions energy: -257.585
where: short stacking energy: -92.445
Base-Backbone interact. energy: -0.062
local terms energy: -105.646604
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -345.330853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.330853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.330853 (E_RNA)
where:
Base-Base interactions energy: -225.463
where: short stacking energy: -104.989
Base-Backbone interact. energy: -0.161
local terms energy: -119.707457
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -32.252
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: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -348.655669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.655669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.655669 (E_RNA)
where:
Base-Base interactions energy: -237.873
where: short stacking energy: -101.760
Base-Backbone interact. energy: -0.354
local terms energy: -110.428634
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -275.187583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.187583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.187583 (E_RNA)
where:
Base-Base interactions energy: -163.233
where: short stacking energy: -89.632
Base-Backbone interact. energy: -0.671
local terms energy: -111.283790
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -253.966637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.966637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.966637 (E_RNA)
where:
Base-Base interactions energy: -153.941
where: short stacking energy: -75.941
Base-Backbone interact. energy: -0.695
local terms energy: -99.330102
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -15.606
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: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -183.846087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.846087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.846087 (E_RNA)
where:
Base-Base interactions energy: -113.312
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.429
local terms energy: -70.105880
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -178.208094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.208094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.208094 (E_RNA)
where:
Base-Base interactions energy: -103.191
where: short stacking energy: -49.210
Base-Backbone interact. energy: 0.762
local terms energy: -75.778867
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -140.234043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.234043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.234043 (E_RNA)
where:
Base-Base interactions energy: -63.173
where: short stacking energy: -30.212
Base-Backbone interact. energy: -0.725
local terms energy: -76.336344
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -417.251785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.251785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.251785 (E_RNA)
where:
Base-Base interactions energy: -297.828
where: short stacking energy: -125.279
Base-Backbone interact. energy: -0.345
local terms energy: -119.078926
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -34.715
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: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -376.528483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.528483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.528483 (E_RNA)
where:
Base-Base interactions energy: -271.022
where: short stacking energy: -104.305
Base-Backbone interact. energy: 0.177
local terms energy: -105.682981
where:
bonds (distance) C4'-P energy: -22.906
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -28.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -368.412365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.412365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.412365 (E_RNA)
where:
Base-Base interactions energy: -262.573
where: short stacking energy: -94.440
Base-Backbone interact. energy: -0.667
local terms energy: -105.171660
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -349.138648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.138648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.138648 (E_RNA)
where:
Base-Base interactions energy: -243.890
where: short stacking energy: -99.178
Base-Backbone interact. energy: -0.611
local terms energy: -104.637765
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -24.779
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: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -362.502553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.502553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.502553 (E_RNA)
where:
Base-Base interactions energy: -246.833
where: short stacking energy: -97.543
Base-Backbone interact. energy: -0.456
local terms energy: -115.213267
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -30.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -286.821865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.821865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.821865 (E_RNA)
where:
Base-Base interactions energy: -177.184
where: short stacking energy: -75.394
Base-Backbone interact. energy: 0.603
local terms energy: -110.241510
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -22.541
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: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -244.560673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.560673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.560673 (E_RNA)
where:
Base-Base interactions energy: -143.992
where: short stacking energy: -76.195
Base-Backbone interact. energy: -1.125
local terms energy: -99.443105
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -186.393729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.393729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.393729 (E_RNA)
where:
Base-Base interactions energy: -102.994
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.570
local terms energy: -82.830321
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -190.382184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.382184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.382184 (E_RNA)
where:
Base-Base interactions energy: -124.028
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.119
local terms energy: -66.235615
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -176.571908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.571908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.571908 (E_RNA)
where:
Base-Base interactions energy: -94.361
where: short stacking energy: -42.960
Base-Backbone interact. energy: 0.664
local terms energy: -82.875194
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -2.049
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: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -420.922712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.922712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.922712 (E_RNA)
where:
Base-Base interactions energy: -292.441
where: short stacking energy: -118.188
Base-Backbone interact. energy: -0.000
local terms energy: -128.481560
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -38.495
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: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -389.894475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.894475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.894475 (E_RNA)
where:
Base-Base interactions energy: -272.630
where: short stacking energy: -108.463
Base-Backbone interact. energy: 0.030
local terms energy: -117.293876
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -33.513
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: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -377.558448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.558448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.558448 (E_RNA)
where:
Base-Base interactions energy: -257.475
where: short stacking energy: -101.581
Base-Backbone interact. energy: 0.827
local terms energy: -120.910547
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -28.554
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: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -346.145598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.145598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.145598 (E_RNA)
where:
Base-Base interactions energy: -236.283
where: short stacking energy: -98.331
Base-Backbone interact. energy: 2.372
local terms energy: -112.234964
where:
bonds (distance) C4'-P energy: -24.613
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -27.135
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: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -360.702019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.702019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.702019 (E_RNA)
where:
Base-Base interactions energy: -254.933
where: short stacking energy: -105.775
Base-Backbone interact. energy: -0.413
local terms energy: -105.356341
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -270.842596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.842596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.842596 (E_RNA)
where:
Base-Base interactions energy: -173.771
where: short stacking energy: -86.706
Base-Backbone interact. energy: -0.721
local terms energy: -96.350234
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -244.538508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.538508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.538508 (E_RNA)
where:
Base-Base interactions energy: -153.770
where: short stacking energy: -77.046
Base-Backbone interact. energy: -0.131
local terms energy: -90.637102
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -12.974
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -189.374076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.374076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.374076 (E_RNA)
where:
Base-Base interactions energy: -102.814
where: short stacking energy: -48.181
Base-Backbone interact. energy: -0.414
local terms energy: -86.145790
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -171.992433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.992433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.992433 (E_RNA)
where:
Base-Base interactions energy: -100.758
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.826
local terms energy: -70.408655
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -15.071
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: 337
Temperature: 1.350000
Total energy: -189.396597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.396597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.396597 (E_RNA)
where:
Base-Base interactions energy: -98.213
where: short stacking energy: -50.081
Base-Backbone interact. energy: -0.040
local terms energy: -91.143443
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -7.851
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: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -411.732791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.732791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.732791 (E_RNA)
where:
Base-Base interactions energy: -290.126
where: short stacking energy: -108.077
Base-Backbone interact. energy: -0.069
local terms energy: -121.537518
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -37.179
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: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -387.031223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.031223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.031223 (E_RNA)
where:
Base-Base interactions energy: -282.018
where: short stacking energy: -109.136
Base-Backbone interact. energy: -0.319
local terms energy: -104.693632
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -30.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -362.340079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.340079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.340079 (E_RNA)
where:
Base-Base interactions energy: -250.070
where: short stacking energy: -99.904
Base-Backbone interact. energy: 1.149
local terms energy: -113.419458
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -365.655338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.655338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.655338 (E_RNA)
where:
Base-Base interactions energy: -260.567
where: short stacking energy: -107.450
Base-Backbone interact. energy: -0.314
local terms energy: -104.773465
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -370.009094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.009094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.009094 (E_RNA)
where:
Base-Base interactions energy: -259.738
where: short stacking energy: -107.206
Base-Backbone interact. energy: -0.645
local terms energy: -109.626300
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -26.785
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -292.441187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.441187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.441187 (E_RNA)
where:
Base-Base interactions energy: -181.823
where: short stacking energy: -87.889
Base-Backbone interact. energy: -0.026
local terms energy: -110.592168
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -27.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -261.490264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.490264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.490264 (E_RNA)
where:
Base-Base interactions energy: -172.212
where: short stacking energy: -77.019
Base-Backbone interact. energy: -0.054
local terms energy: -89.223958
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -17.333
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: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -180.975416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.975416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.975416 (E_RNA)
where:
Base-Base interactions energy: -102.298
where: short stacking energy: -50.047
Base-Backbone interact. energy: -0.484
local terms energy: -78.193345
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -195.371073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.371073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.371073 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.317
local terms energy: -77.903718
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -15.422
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: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -187.291294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.291294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.291294 (E_RNA)
where:
Base-Base interactions energy: -124.971
where: short stacking energy: -44.913
Base-Backbone interact. energy: -0.472
local terms energy: -61.848224
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: 2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -420.784373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.784373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.784373 (E_RNA)
where:
Base-Base interactions energy: -299.055
where: short stacking energy: -128.251
Base-Backbone interact. energy: -0.006
local terms energy: -121.722990
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -37.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -378.460758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.460758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.460758 (E_RNA)
where:
Base-Base interactions energy: -259.548
where: short stacking energy: -110.809
Base-Backbone interact. energy: -0.205
local terms energy: -118.707435
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -29.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -381.493952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.493952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.493952 (E_RNA)
where:
Base-Base interactions energy: -269.793
where: short stacking energy: -98.537
Base-Backbone interact. energy: -0.785
local terms energy: -110.915862
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -28.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -378.948764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.948764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.948764 (E_RNA)
where:
Base-Base interactions energy: -277.076
where: short stacking energy: -107.412
Base-Backbone interact. energy: -0.029
local terms energy: -101.843940
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -29.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -361.266582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.266582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.266582 (E_RNA)
where:
Base-Base interactions energy: -258.410
where: short stacking energy: -108.254
Base-Backbone interact. energy: 0.564
local terms energy: -103.420541
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -28.072
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: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -288.607605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.607605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.607605 (E_RNA)
where:
Base-Base interactions energy: -196.793
where: short stacking energy: -85.480
Base-Backbone interact. energy: 0.221
local terms energy: -92.034972
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -271.627283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.627283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.627283 (E_RNA)
where:
Base-Base interactions energy: -177.392
where: short stacking energy: -85.075
Base-Backbone interact. energy: 0.013
local terms energy: -94.248231
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -207.656571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.656571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.656571 (E_RNA)
where:
Base-Base interactions energy: -124.069
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.234
local terms energy: -83.353108
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -180.815925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.815925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.815925 (E_RNA)
where:
Base-Base interactions energy: -106.312
where: short stacking energy: -43.101
Base-Backbone interact. energy: -1.701
local terms energy: -72.802788
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -165.349396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.349396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.349396 (E_RNA)
where:
Base-Base interactions energy: -98.926
where: short stacking energy: -44.189
Base-Backbone interact. energy: 0.739
local terms energy: -67.162728
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -422.604243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.604243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.604243 (E_RNA)
where:
Base-Base interactions energy: -305.244
where: short stacking energy: -124.012
Base-Backbone interact. energy: 0.122
local terms energy: -117.482333
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -37.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -378.797002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.797002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.797002 (E_RNA)
where:
Base-Base interactions energy: -262.849
where: short stacking energy: -111.449
Base-Backbone interact. energy: -0.951
local terms energy: -114.996674
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -32.862
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: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -380.333317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.333317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.333317 (E_RNA)
where:
Base-Base interactions energy: -268.262
where: short stacking energy: -100.691
Base-Backbone interact. energy: 1.908
local terms energy: -113.978491
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -28.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -374.336368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.336368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.336368 (E_RNA)
where:
Base-Base interactions energy: -260.164
where: short stacking energy: -98.794
Base-Backbone interact. energy: -0.491
local terms energy: -113.681173
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -29.927
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: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -354.298901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.298901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.298901 (E_RNA)
where:
Base-Base interactions energy: -254.844
where: short stacking energy: -109.104
Base-Backbone interact. energy: -0.414
local terms energy: -99.041182
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -25.903
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: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -295.217014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.217014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.217014 (E_RNA)
where:
Base-Base interactions energy: -201.775
where: short stacking energy: -92.397
Base-Backbone interact. energy: -0.950
local terms energy: -92.492503
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -248.755127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.755127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.755127 (E_RNA)
where:
Base-Base interactions energy: -162.811
where: short stacking energy: -73.133
Base-Backbone interact. energy: -0.351
local terms energy: -85.592940
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -16.061
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: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -215.881296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.881296 (E_RNA)
where:
Base-Base interactions energy: -115.517
where: short stacking energy: -70.554
Base-Backbone interact. energy: 0.551
local terms energy: -100.914903
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -22.641
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: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -202.820208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820208 (E_RNA)
where:
Base-Base interactions energy: -116.832
where: short stacking energy: -60.057
Base-Backbone interact. energy: 0.359
local terms energy: -86.346875
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -180.883770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.883770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.883770 (E_RNA)
where:
Base-Base interactions energy: -98.939
where: short stacking energy: -54.113
Base-Backbone interact. energy: 0.336
local terms energy: -82.279990
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -424.439776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.439776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.439776 (E_RNA)
where:
Base-Base interactions energy: -302.068
where: short stacking energy: -124.219
Base-Backbone interact. energy: -0.083
local terms energy: -122.288779
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -38.362
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: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -391.392508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.392508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.392508 (E_RNA)
where:
Base-Base interactions energy: -279.248
where: short stacking energy: -109.181
Base-Backbone interact. energy: -0.980
local terms energy: -111.164957
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -370.174447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.174447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.174447 (E_RNA)
where:
Base-Base interactions energy: -259.101
where: short stacking energy: -103.636
Base-Backbone interact. energy: 0.152
local terms energy: -111.225302
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -28.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -364.598086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.598086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.598086 (E_RNA)
where:
Base-Base interactions energy: -252.510
where: short stacking energy: -102.668
Base-Backbone interact. energy: -0.165
local terms energy: -111.923375
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -25.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -376.034963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.034963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.034963 (E_RNA)
where:
Base-Base interactions energy: -274.352
where: short stacking energy: -104.506
Base-Backbone interact. energy: -0.835
local terms energy: -100.847538
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -277.580186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.580186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.580186 (E_RNA)
where:
Base-Base interactions energy: -170.409
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.457
local terms energy: -106.714036
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -246.364425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.364425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.364425 (E_RNA)
where:
Base-Base interactions energy: -172.430
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.919
local terms energy: -73.015688
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -6.796
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: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -230.033351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.033351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.033351 (E_RNA)
where:
Base-Base interactions energy: -148.873
where: short stacking energy: -62.921
Base-Backbone interact. energy: 0.250
local terms energy: -81.410286
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -9.188
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: 341
Temperature: 1.300000
Total energy: -183.236924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.236924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.236924 (E_RNA)
where:
Base-Base interactions energy: -103.539
where: short stacking energy: -42.584
Base-Backbone interact. energy: -0.307
local terms energy: -79.391684
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -128.917860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.917860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.917860 (E_RNA)
where:
Base-Base interactions energy: -49.676
where: short stacking energy: -33.457
Base-Backbone interact. energy: -0.293
local terms energy: -78.949195
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -2.998
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: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -426.661553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.661553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.661553 (E_RNA)
where:
Base-Base interactions energy: -315.652
where: short stacking energy: -124.783
Base-Backbone interact. energy: -0.474
local terms energy: -110.535100
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -37.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -394.527790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.527790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.527790 (E_RNA)
where:
Base-Base interactions energy: -278.715
where: short stacking energy: -107.250
Base-Backbone interact. energy: -0.597
local terms energy: -115.215891
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -366.377918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.377918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.377918 (E_RNA)
where:
Base-Base interactions energy: -250.579
where: short stacking energy: -104.248
Base-Backbone interact. energy: -0.247
local terms energy: -115.552198
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -28.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -355.539702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.539702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.539702 (E_RNA)
where:
Base-Base interactions energy: -250.802
where: short stacking energy: -97.822
Base-Backbone interact. energy: -0.472
local terms energy: -104.266509
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -335.576183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.576183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.576183 (E_RNA)
where:
Base-Base interactions energy: -230.526
where: short stacking energy: -85.920
Base-Backbone interact. energy: 1.118
local terms energy: -106.168109
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -267.960740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.960740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.960740 (E_RNA)
where:
Base-Base interactions energy: -171.066
where: short stacking energy: -73.683
Base-Backbone interact. energy: -0.952
local terms energy: -95.942808
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -265.662874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.662874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.662874 (E_RNA)
where:
Base-Base interactions energy: -173.612
where: short stacking energy: -67.618
Base-Backbone interact. energy: -1.101
local terms energy: -90.949558
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -229.045790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.045790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.045790 (E_RNA)
where:
Base-Base interactions energy: -136.177
where: short stacking energy: -79.804
Base-Backbone interact. energy: -0.287
local terms energy: -92.581593
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -10.559
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: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -180.564208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.564208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.564208 (E_RNA)
where:
Base-Base interactions energy: -96.878
where: short stacking energy: -45.788
Base-Backbone interact. energy: -1.216
local terms energy: -82.471080
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -0.129
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: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -104.516869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.516869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.516869 (E_RNA)
where:
Base-Base interactions energy: -32.943
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.174
local terms energy: -71.400300
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -426.465627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.465627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.465627 (E_RNA)
where:
Base-Base interactions energy: -301.513
where: short stacking energy: -121.073
Base-Backbone interact. energy: -0.004
local terms energy: -124.947941
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -36.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -376.708638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.708638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.708638 (E_RNA)
where:
Base-Base interactions energy: -260.128
where: short stacking energy: -103.127
Base-Backbone interact. energy: 0.502
local terms energy: -117.081792
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -28.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -373.522957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.522957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.522957 (E_RNA)
where:
Base-Base interactions energy: -265.611
where: short stacking energy: -112.114
Base-Backbone interact. energy: -1.134
local terms energy: -106.777006
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -26.210
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: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -360.378778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.378778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.378778 (E_RNA)
where:
Base-Base interactions energy: -249.291
where: short stacking energy: -99.945
Base-Backbone interact. energy: -0.739
local terms energy: -110.349268
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -26.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -363.725649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.725649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.725649 (E_RNA)
where:
Base-Base interactions energy: -258.230
where: short stacking energy: -105.942
Base-Backbone interact. energy: 1.134
local terms energy: -106.629503
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -28.429
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: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -249.400853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.400853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.400853 (E_RNA)
where:
Base-Base interactions energy: -156.461
where: short stacking energy: -73.768
Base-Backbone interact. energy: -0.375
local terms energy: -92.565287
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -9.519
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: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -287.271044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.271044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.271044 (E_RNA)
where:
Base-Base interactions energy: -186.102
where: short stacking energy: -86.358
Base-Backbone interact. energy: 1.173
local terms energy: -102.342084
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -24.438
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: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -217.730077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.730077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.730077 (E_RNA)
where:
Base-Base interactions energy: -126.928
where: short stacking energy: -76.201
Base-Backbone interact. energy: -0.159
local terms energy: -90.643196
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -187.511491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.511491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.511491 (E_RNA)
where:
Base-Base interactions energy: -111.553
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.053
local terms energy: -75.906139
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -127.304275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.304275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.304275 (E_RNA)
where:
Base-Base interactions energy: -48.455
where: short stacking energy: -35.822
Base-Backbone interact. energy: 0.995
local terms energy: -79.844333
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -6.944
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: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -381.443711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.443711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.443711 (E_RNA)
where:
Base-Base interactions energy: -261.207
where: short stacking energy: -105.172
Base-Backbone interact. energy: -0.241
local terms energy: -119.995188
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -28.384
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: 344
Temperature: 0.950000
Total energy: -423.558718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.558718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.558718 (E_RNA)
where:
Base-Base interactions energy: -301.010
where: short stacking energy: -118.479
Base-Backbone interact. energy: -0.181
local terms energy: -122.367792
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -37.124
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: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -369.056321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.056321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.056321 (E_RNA)
where:
Base-Base interactions energy: -247.651
where: short stacking energy: -106.276
Base-Backbone interact. energy: 0.537
local terms energy: -121.941723
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -28.691
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: 344
Temperature: 1.050000
Total energy: -386.976560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.976560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.976560 (E_RNA)
where:
Base-Base interactions energy: -273.383
where: short stacking energy: -97.673
Base-Backbone interact. energy: -0.724
local terms energy: -112.869255
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -361.198414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.198414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.198414 (E_RNA)
where:
Base-Base interactions energy: -251.851
where: short stacking energy: -100.963
Base-Backbone interact. energy: -0.437
local terms energy: -108.909875
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -249.567118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.567118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.567118 (E_RNA)
where:
Base-Base interactions energy: -154.246
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.149
local terms energy: -95.172021
where:
bonds (distance) C4'-P energy: -24.107
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -267.879736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.879736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.879736 (E_RNA)
where:
Base-Base interactions energy: -167.564
where: short stacking energy: -74.148
Base-Backbone interact. energy: -0.851
local terms energy: -99.464807
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -216.581038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.581038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.581038 (E_RNA)
where:
Base-Base interactions energy: -130.412
where: short stacking energy: -72.321
Base-Backbone interact. energy: -1.112
local terms energy: -85.056900
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -177.883201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.883201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.883201 (E_RNA)
where:
Base-Base interactions energy: -83.530
where: short stacking energy: -46.113
Base-Backbone interact. energy: 0.116
local terms energy: -94.469374
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -13.108
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: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -162.249140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.249140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.249140 (E_RNA)
where:
Base-Base interactions energy: -85.518
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.109
local terms energy: -76.621638
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -369.819316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.819316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.819316 (E_RNA)
where:
Base-Base interactions energy: -245.849
where: short stacking energy: -103.518
Base-Backbone interact. energy: -2.128
local terms energy: -121.841982
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -31.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -408.877108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.877108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.877108 (E_RNA)
where:
Base-Base interactions energy: -286.556
where: short stacking energy: -119.183
Base-Backbone interact. energy: -0.010
local terms energy: -122.311228
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -33.550
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -384.306056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.306056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.306056 (E_RNA)
where:
Base-Base interactions energy: -272.831
where: short stacking energy: -107.782
Base-Backbone interact. energy: -0.426
local terms energy: -111.049232
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -31.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -373.691667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.691667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.691667 (E_RNA)
where:
Base-Base interactions energy: -260.107
where: short stacking energy: -100.307
Base-Backbone interact. energy: -1.040
local terms energy: -112.544047
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -359.593899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.593899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.593899 (E_RNA)
where:
Base-Base interactions energy: -246.767
where: short stacking energy: -96.520
Base-Backbone interact. energy: -0.341
local terms energy: -112.486125
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -28.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -276.289155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.289155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.289155 (E_RNA)
where:
Base-Base interactions energy: -179.523
where: short stacking energy: -87.608
Base-Backbone interact. energy: 0.806
local terms energy: -97.572230
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -22.098
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: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -264.001173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.001173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.001173 (E_RNA)
where:
Base-Base interactions energy: -166.058
where: short stacking energy: -75.979
Base-Backbone interact. energy: -1.631
local terms energy: -96.312409
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -191.745838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.745838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.745838 (E_RNA)
where:
Base-Base interactions energy: -108.232
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.463
local terms energy: -83.051231
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -159.541042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.541042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.541042 (E_RNA)
where:
Base-Base interactions energy: -90.854
where: short stacking energy: -44.560
Base-Backbone interact. energy: -0.290
local terms energy: -68.397708
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -14.136
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: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -132.699482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.699482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.699482 (E_RNA)
where:
Base-Base interactions energy: -57.566
where: short stacking energy: -41.495
Base-Backbone interact. energy: -0.481
local terms energy: -74.652440
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -416.724891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.724891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.724891 (E_RNA)
where:
Base-Base interactions energy: -291.486
where: short stacking energy: -120.141
Base-Backbone interact. energy: -0.084
local terms energy: -125.154263
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -36.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -368.332922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.332922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.332922 (E_RNA)
where:
Base-Base interactions energy: -245.860
where: short stacking energy: -106.581
Base-Backbone interact. energy: -0.808
local terms energy: -121.665572
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -29.390
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: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -386.202326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.202326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.202326 (E_RNA)
where:
Base-Base interactions energy: -272.549
where: short stacking energy: -113.341
Base-Backbone interact. energy: 0.846
local terms energy: -114.499588
where:
bonds (distance) C4'-P energy: -25.859
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -29.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -381.529726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.529726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.529726 (E_RNA)
where:
Base-Base interactions energy: -257.334
where: short stacking energy: -102.050
Base-Backbone interact. energy: -1.159
local terms energy: -123.036257
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -27.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -362.333734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.333734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.333734 (E_RNA)
where:
Base-Base interactions energy: -251.090
where: short stacking energy: -101.102
Base-Backbone interact. energy: -0.403
local terms energy: -110.840760
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -27.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -291.250894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.250894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.250894 (E_RNA)
where:
Base-Base interactions energy: -193.487
where: short stacking energy: -79.319
Base-Backbone interact. energy: 0.197
local terms energy: -97.961697
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -18.289
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: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -259.826257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.826257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.826257 (E_RNA)
where:
Base-Base interactions energy: -163.292
where: short stacking energy: -79.440
Base-Backbone interact. energy: -0.181
local terms energy: -96.352725
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -186.441937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.441937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.441937 (E_RNA)
where:
Base-Base interactions energy: -100.106
where: short stacking energy: -51.769
Base-Backbone interact. energy: -0.235
local terms energy: -86.100601
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -132.086513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.086513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.086513 (E_RNA)
where:
Base-Base interactions energy: -54.882
where: short stacking energy: -50.484
Base-Backbone interact. energy: -0.917
local terms energy: -76.286872
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -114.045744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.045744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.045744 (E_RNA)
where:
Base-Base interactions energy: -39.529
where: short stacking energy: -34.036
Base-Backbone interact. energy: -0.230
local terms energy: -74.286477
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -416.149407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.149407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.149407 (E_RNA)
where:
Base-Base interactions energy: -294.288
where: short stacking energy: -121.772
Base-Backbone interact. energy: -0.053
local terms energy: -121.807948
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -37.578
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: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -384.980008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.980008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.980008 (E_RNA)
where:
Base-Base interactions energy: -271.575
where: short stacking energy: -114.263
Base-Backbone interact. energy: -0.709
local terms energy: -112.696510
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -28.935
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: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -364.712702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.712702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.712702 (E_RNA)
where:
Base-Base interactions energy: -246.998
where: short stacking energy: -105.597
Base-Backbone interact. energy: -1.268
local terms energy: -116.446763
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -29.399
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: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -376.657574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.657574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.657574 (E_RNA)
where:
Base-Base interactions energy: -270.392
where: short stacking energy: -108.412
Base-Backbone interact. energy: -0.819
local terms energy: -105.447167
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -362.606545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.606545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.606545 (E_RNA)
where:
Base-Base interactions energy: -258.874
where: short stacking energy: -90.186
Base-Backbone interact. energy: -0.360
local terms energy: -103.372807
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -253.481252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.481252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.481252 (E_RNA)
where:
Base-Base interactions energy: -162.132
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.607
local terms energy: -90.742850
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -260.376545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.376545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.376545 (E_RNA)
where:
Base-Base interactions energy: -171.132
where: short stacking energy: -68.290
Base-Backbone interact. energy: 0.936
local terms energy: -90.181315
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -15.848
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: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -133.915036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.915036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.915036 (E_RNA)
where:
Base-Base interactions energy: -57.080
where: short stacking energy: -49.885
Base-Backbone interact. energy: 0.734
local terms energy: -77.568598
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -178.611542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.611542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.611542 (E_RNA)
where:
Base-Base interactions energy: -98.132
where: short stacking energy: -49.194
Base-Backbone interact. energy: -0.177
local terms energy: -80.303012
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -120.436889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.436889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.436889 (E_RNA)
where:
Base-Base interactions energy: -38.890
where: short stacking energy: -37.362
Base-Backbone interact. energy: 1.003
local terms energy: -82.549531
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -418.990338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.990338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.990338 (E_RNA)
where:
Base-Base interactions energy: -290.794
where: short stacking energy: -119.956
Base-Backbone interact. energy: -0.007
local terms energy: -128.189836
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -399.910987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.910987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.910987 (E_RNA)
where:
Base-Base interactions energy: -286.718
where: short stacking energy: -101.525
Base-Backbone interact. energy: -0.435
local terms energy: -112.758355
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -370.700990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.700990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.700990 (E_RNA)
where:
Base-Base interactions energy: -260.249
where: short stacking energy: -104.591
Base-Backbone interact. energy: -0.332
local terms energy: -110.120723
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -29.371
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: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -358.072189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.072189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.072189 (E_RNA)
where:
Base-Base interactions energy: -248.423
where: short stacking energy: -101.117
Base-Backbone interact. energy: -0.543
local terms energy: -109.105647
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -355.364945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.364945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.364945 (E_RNA)
where:
Base-Base interactions energy: -252.329
where: short stacking energy: -104.534
Base-Backbone interact. energy: -0.137
local terms energy: -102.899463
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -26.651
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: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -251.381505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.381505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.381505 (E_RNA)
where:
Base-Base interactions energy: -156.186
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.899
local terms energy: -94.296596
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -22.673
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -269.425320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.425320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.425320 (E_RNA)
where:
Base-Base interactions energy: -174.056
where: short stacking energy: -80.056
Base-Backbone interact. energy: -0.335
local terms energy: -95.033917
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -135.054369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.054369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.054369 (E_RNA)
where:
Base-Base interactions energy: -55.893
where: short stacking energy: -48.399
Base-Backbone interact. energy: -0.194
local terms energy: -78.967443
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -193.051294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.051294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.051294 (E_RNA)
where:
Base-Base interactions energy: -117.372
where: short stacking energy: -53.413
Base-Backbone interact. energy: -0.146
local terms energy: -75.532793
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -119.866515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.866515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.866515 (E_RNA)
where:
Base-Base interactions energy: -54.058
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.479
local terms energy: -65.330039
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -424.576637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.576637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.576637 (E_RNA)
where:
Base-Base interactions energy: -306.469
where: short stacking energy: -122.502
Base-Backbone interact. energy: -0.071
local terms energy: -118.036815
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -37.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -398.896554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.896554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.896554 (E_RNA)
where:
Base-Base interactions energy: -285.343
where: short stacking energy: -112.746
Base-Backbone interact. energy: -0.515
local terms energy: -113.038910
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -382.733687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.733687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.733687 (E_RNA)
where:
Base-Base interactions energy: -265.311
where: short stacking energy: -114.837
Base-Backbone interact. energy: -0.514
local terms energy: -116.909099
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -27.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -366.606315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.606315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.606315 (E_RNA)
where:
Base-Base interactions energy: -258.370
where: short stacking energy: -92.864
Base-Backbone interact. energy: -0.474
local terms energy: -107.762061
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -26.775
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: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -345.090162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.090162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.090162 (E_RNA)
where:
Base-Base interactions energy: -233.897
where: short stacking energy: -100.417
Base-Backbone interact. energy: -0.337
local terms energy: -110.856577
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -16.617
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -306.686827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.686827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.686827 (E_RNA)
where:
Base-Base interactions energy: -209.721
where: short stacking energy: -91.267
Base-Backbone interact. energy: -0.219
local terms energy: -96.746934
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -240.583018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.583018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.583018 (E_RNA)
where:
Base-Base interactions energy: -159.134
where: short stacking energy: -72.565
Base-Backbone interact. energy: -0.673
local terms energy: -80.776068
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -12.559
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: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -221.253387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.253387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.253387 (E_RNA)
where:
Base-Base interactions energy: -148.154
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.575
local terms energy: -72.524067
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -134.286666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.286666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.286666 (E_RNA)
where:
Base-Base interactions energy: -56.726
where: short stacking energy: -56.726
Base-Backbone interact. energy: 2.482
local terms energy: -80.042440
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -13.291
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: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -112.294541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.294541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.294541 (E_RNA)
where:
Base-Base interactions energy: -30.277
where: short stacking energy: -28.111
Base-Backbone interact. energy: -0.095
local terms energy: -81.922318
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -423.682851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.682851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.682851 (E_RNA)
where:
Base-Base interactions energy: -299.988
where: short stacking energy: -124.121
Base-Backbone interact. energy: -0.169
local terms energy: -123.526633
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -36.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -395.474803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.474803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.474803 (E_RNA)
where:
Base-Base interactions energy: -278.353
where: short stacking energy: -112.660
Base-Backbone interact. energy: 1.043
local terms energy: -118.165029
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -25.757
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: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -369.578641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.578641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.578641 (E_RNA)
where:
Base-Base interactions energy: -265.031
where: short stacking energy: -104.464
Base-Backbone interact. energy: -0.558
local terms energy: -103.989633
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -28.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -370.186472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.186472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.186472 (E_RNA)
where:
Base-Base interactions energy: -252.195
where: short stacking energy: -106.005
Base-Backbone interact. energy: -1.865
local terms energy: -116.125878
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -25.777
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -26.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -339.724095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.724095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.724095 (E_RNA)
where:
Base-Base interactions energy: -231.373
where: short stacking energy: -98.546
Base-Backbone interact. energy: -0.976
local terms energy: -107.375558
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -23.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -274.563234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.563234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.563234 (E_RNA)
where:
Base-Base interactions energy: -179.646
where: short stacking energy: -75.715
Base-Backbone interact. energy: -0.199
local terms energy: -94.718127
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -186.976551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.976551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.976551 (E_RNA)
where:
Base-Base interactions energy: -110.918
where: short stacking energy: -69.131
Base-Backbone interact. energy: -0.113
local terms energy: -75.945687
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -269.189796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.189796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.189796 (E_RNA)
where:
Base-Base interactions energy: -174.418
where: short stacking energy: -75.016
Base-Backbone interact. energy: -0.258
local terms energy: -94.513474
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -142.245790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.245790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.245790 (E_RNA)
where:
Base-Base interactions energy: -64.561
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.182
local terms energy: -77.502983
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -117.192712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.192712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.192712 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -35.762
Base-Backbone interact. energy: -0.256
local terms energy: -80.769293
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -425.549503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.549503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.549503 (E_RNA)
where:
Base-Base interactions energy: -301.333
where: short stacking energy: -119.375
Base-Backbone interact. energy: -0.003
local terms energy: -124.213332
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -36.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -402.518848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.518848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.518848 (E_RNA)
where:
Base-Base interactions energy: -284.228
where: short stacking energy: -98.096
Base-Backbone interact. energy: 1.136
local terms energy: -119.426911
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -25.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -377.936110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.936110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.936110 (E_RNA)
where:
Base-Base interactions energy: -271.305
where: short stacking energy: -113.715
Base-Backbone interact. energy: 1.272
local terms energy: -107.902644
where:
bonds (distance) C4'-P energy: -26.334
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -373.106639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.106639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.106639 (E_RNA)
where:
Base-Base interactions energy: -258.595
where: short stacking energy: -100.351
Base-Backbone interact. energy: -0.466
local terms energy: -114.044743
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -28.568
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: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -344.102777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.102777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.102777 (E_RNA)
where:
Base-Base interactions energy: -234.551
where: short stacking energy: -99.931
Base-Backbone interact. energy: -0.034
local terms energy: -109.517447
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -26.717
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -279.550090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.550090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.550090 (E_RNA)
where:
Base-Base interactions energy: -187.056
where: short stacking energy: -91.738
Base-Backbone interact. energy: -0.202
local terms energy: -92.291789
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -15.156
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: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -188.110812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.110812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.110812 (E_RNA)
where:
Base-Base interactions energy: -109.360
where: short stacking energy: -62.967
Base-Backbone interact. energy: -0.254
local terms energy: -78.496776
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -259.911622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.911622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.911622 (E_RNA)
where:
Base-Base interactions energy: -157.789
where: short stacking energy: -75.059
Base-Backbone interact. energy: -0.697
local terms energy: -101.425645
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -131.971821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.971821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.971821 (E_RNA)
where:
Base-Base interactions energy: -50.456
where: short stacking energy: -42.419
Base-Backbone interact. energy: -0.247
local terms energy: -81.268848
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -112.147647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.147647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.147647 (E_RNA)
where:
Base-Base interactions energy: -41.934
where: short stacking energy: -41.934
Base-Backbone interact. energy: -0.143
local terms energy: -70.071626
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -420.879735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.879735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.879735 (E_RNA)
where:
Base-Base interactions energy: -296.078
where: short stacking energy: -114.772
Base-Backbone interact. energy: 0.022
local terms energy: -124.823534
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -37.869
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: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -387.000681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.000681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.000681 (E_RNA)
where:
Base-Base interactions energy: -267.880
where: short stacking energy: -112.725
Base-Backbone interact. energy: -1.300
local terms energy: -117.820438
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -363.997212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.997212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.997212 (E_RNA)
where:
Base-Base interactions energy: -247.025
where: short stacking energy: -96.309
Base-Backbone interact. energy: 0.144
local terms energy: -117.117094
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -28.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -375.573064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.573064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.573064 (E_RNA)
where:
Base-Base interactions energy: -262.134
where: short stacking energy: -100.436
Base-Backbone interact. energy: -0.400
local terms energy: -113.039383
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -28.268
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -344.963714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.963714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.963714 (E_RNA)
where:
Base-Base interactions energy: -237.019
where: short stacking energy: -93.123
Base-Backbone interact. energy: -0.091
local terms energy: -107.853573
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -290.502298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.502298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.502298 (E_RNA)
where:
Base-Base interactions energy: -191.284
where: short stacking energy: -81.820
Base-Backbone interact. energy: -0.525
local terms energy: -98.693432
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -247.459807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.459807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.459807 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -83.985
Base-Backbone interact. energy: -0.437
local terms energy: -99.166129
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -170.972340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.972340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.972340 (E_RNA)
where:
Base-Base interactions energy: -94.958
where: short stacking energy: -51.048
Base-Backbone interact. energy: -0.406
local terms energy: -75.608494
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -127.792444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.792444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.792444 (E_RNA)
where:
Base-Base interactions energy: -50.409
where: short stacking energy: -50.409
Base-Backbone interact. energy: -1.098
local terms energy: -76.285257
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -10.606
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: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -117.461451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.461451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.461451 (E_RNA)
where:
Base-Base interactions energy: -46.348
where: short stacking energy: -41.226
Base-Backbone interact. energy: 1.205
local terms energy: -72.317751
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -418.831055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.831055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.831055 (E_RNA)
where:
Base-Base interactions energy: -295.986
where: short stacking energy: -114.431
Base-Backbone interact. energy: -0.002
local terms energy: -122.842917
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -36.684
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: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -385.929770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.929770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.929770 (E_RNA)
where:
Base-Base interactions energy: -275.502
where: short stacking energy: -118.298
Base-Backbone interact. energy: -0.362
local terms energy: -110.066181
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -29.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -339.877763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.877763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.877763 (E_RNA)
where:
Base-Base interactions energy: -233.930
where: short stacking energy: -92.695
Base-Backbone interact. energy: -0.055
local terms energy: -105.892963
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -26.228
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -382.069015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.069015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.069015 (E_RNA)
where:
Base-Base interactions energy: -271.417
where: short stacking energy: -105.878
Base-Backbone interact. energy: -0.339
local terms energy: -110.313590
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -28.430
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: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -356.838075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.838075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.838075 (E_RNA)
where:
Base-Base interactions energy: -256.269
where: short stacking energy: -97.663
Base-Backbone interact. energy: -0.449
local terms energy: -100.120154
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -277.580252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.580252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.580252 (E_RNA)
where:
Base-Base interactions energy: -195.375
where: short stacking energy: -82.948
Base-Backbone interact. energy: 1.426
local terms energy: -83.631093
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -14.192
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: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -235.576875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.576875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.576875 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -69.433
Base-Backbone interact. energy: -0.616
local terms energy: -95.568554
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -17.640
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: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -192.410013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.410013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.410013 (E_RNA)
where:
Base-Base interactions energy: -106.594
where: short stacking energy: -48.612
Base-Backbone interact. energy: -1.117
local terms energy: -84.699093
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -11.960
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -133.586201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.586201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.586201 (E_RNA)
where:
Base-Base interactions energy: -52.788
where: short stacking energy: -53.388
Base-Backbone interact. energy: 0.073
local terms energy: -80.871554
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -8.104
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: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -116.161251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.161251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.161251 (E_RNA)
where:
Base-Base interactions energy: -47.490
where: short stacking energy: -37.992
Base-Backbone interact. energy: 1.141
local terms energy: -69.811904
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -416.035407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.035407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.035407 (E_RNA)
where:
Base-Base interactions energy: -287.730
where: short stacking energy: -119.385
Base-Backbone interact. energy: -0.018
local terms energy: -128.287973
where:
bonds (distance) C4'-P energy: -26.596
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -35.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -391.452973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.452973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.452973 (E_RNA)
where:
Base-Base interactions energy: -279.161
where: short stacking energy: -113.523
Base-Backbone interact. energy: -0.739
local terms energy: -111.552665
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -382.939300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.939300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.939300 (E_RNA)
where:
Base-Base interactions energy: -273.107
where: short stacking energy: -112.987
Base-Backbone interact. energy: -0.379
local terms energy: -109.452938
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -28.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -340.443025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.443025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.443025 (E_RNA)
where:
Base-Base interactions energy: -230.175
where: short stacking energy: -90.263
Base-Backbone interact. energy: -0.588
local terms energy: -109.680390
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -349.870760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.870760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.870760 (E_RNA)
where:
Base-Base interactions energy: -253.268
where: short stacking energy: -101.729
Base-Backbone interact. energy: -0.520
local terms energy: -96.083082
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -246.722389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.722389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.722389 (E_RNA)
where:
Base-Base interactions energy: -165.017
where: short stacking energy: -70.345
Base-Backbone interact. energy: 0.216
local terms energy: -81.921372
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -230.640180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.640180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.640180 (E_RNA)
where:
Base-Base interactions energy: -149.591
where: short stacking energy: -69.447
Base-Backbone interact. energy: 0.281
local terms energy: -81.330896
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -207.363138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.363138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.363138 (E_RNA)
where:
Base-Base interactions energy: -121.828
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.062
local terms energy: -85.472952
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -13.586
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: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -129.145895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.145895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.145895 (E_RNA)
where:
Base-Base interactions energy: -48.577
where: short stacking energy: -41.765
Base-Backbone interact. energy: -0.055
local terms energy: -80.513953
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -116.468323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.468323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.468323 (E_RNA)
where:
Base-Base interactions energy: -46.721
where: short stacking energy: -43.776
Base-Backbone interact. energy: -0.094
local terms energy: -69.653975
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -416.133506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.133506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.133506 (E_RNA)
where:
Base-Base interactions energy: -285.664
where: short stacking energy: -115.119
Base-Backbone interact. energy: -0.089
local terms energy: -130.380468
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -37.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -389.934848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.934848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.934848 (E_RNA)
where:
Base-Base interactions energy: -272.827
where: short stacking energy: -116.623
Base-Backbone interact. energy: -0.516
local terms energy: -116.591475
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -27.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -367.323405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.323405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.323405 (E_RNA)
where:
Base-Base interactions energy: -254.386
where: short stacking energy: -101.893
Base-Backbone interact. energy: -0.183
local terms energy: -112.753714
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -30.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -347.082837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.082837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.082837 (E_RNA)
where:
Base-Base interactions energy: -247.092
where: short stacking energy: -89.007
Base-Backbone interact. energy: -0.931
local terms energy: -99.060081
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -345.005753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.005753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.005753 (E_RNA)
where:
Base-Base interactions energy: -238.663
where: short stacking energy: -98.025
Base-Backbone interact. energy: -0.200
local terms energy: -106.143183
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -24.802
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: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -249.319721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.319721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.319721 (E_RNA)
where:
Base-Base interactions energy: -151.457
where: short stacking energy: -77.325
Base-Backbone interact. energy: -0.593
local terms energy: -97.268931
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -14.688
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -260.317985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.317985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.317985 (E_RNA)
where:
Base-Base interactions energy: -159.532
where: short stacking energy: -86.564
Base-Backbone interact. energy: -0.483
local terms energy: -100.303221
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -24.611
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: 355
Temperature: 1.250000
Total energy: -198.657903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.657903 (E_RNA)
where:
Base-Base interactions energy: -117.159
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.519
local terms energy: -80.979337
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -7.168
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: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -121.807477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.807477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.807477 (E_RNA)
where:
Base-Base interactions energy: -55.893
where: short stacking energy: -47.251
Base-Backbone interact. energy: 0.041
local terms energy: -65.956260
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -1.554
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: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -114.213822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.213822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.213822 (E_RNA)
where:
Base-Base interactions energy: -43.384
where: short stacking energy: -33.359
Base-Backbone interact. energy: -0.285
local terms energy: -70.545525
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -422.106557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.106557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.106557 (E_RNA)
where:
Base-Base interactions energy: -307.859
where: short stacking energy: -126.637
Base-Backbone interact. energy: -0.027
local terms energy: -114.220499
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -37.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -401.743582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.743582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.743582 (E_RNA)
where:
Base-Base interactions energy: -285.507
where: short stacking energy: -108.094
Base-Backbone interact. energy: -0.763
local terms energy: -115.473920
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -378.064166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.064166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.064166 (E_RNA)
where:
Base-Base interactions energy: -267.167
where: short stacking energy: -110.317
Base-Backbone interact. energy: -0.342
local terms energy: -110.555210
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -30.597
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: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -363.967736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.967736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.967736 (E_RNA)
where:
Base-Base interactions energy: -258.114
where: short stacking energy: -106.748
Base-Backbone interact. energy: -1.607
local terms energy: -104.246887
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -361.313524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.313524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.313524 (E_RNA)
where:
Base-Base interactions energy: -245.999
where: short stacking energy: -104.963
Base-Backbone interact. energy: -0.499
local terms energy: -114.815775
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -29.225
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: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -243.048826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.048826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.048826 (E_RNA)
where:
Base-Base interactions energy: -146.974
where: short stacking energy: -81.014
Base-Backbone interact. energy: -0.813
local terms energy: -95.261315
where:
bonds (distance) C4'-P energy: -24.742
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -248.258417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.258417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.258417 (E_RNA)
where:
Base-Base interactions energy: -160.627
where: short stacking energy: -74.473
Base-Backbone interact. energy: 0.543
local terms energy: -88.174975
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -12.948
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: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -206.786083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.786083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.786083 (E_RNA)
where:
Base-Base interactions energy: -128.460
where: short stacking energy: -57.704
Base-Backbone interact. energy: 0.023
local terms energy: -78.348924
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -119.673330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.673330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.673330 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -38.369
Base-Backbone interact. energy: -0.251
local terms energy: -77.185883
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -1.531
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: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -126.790964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.790964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.790964 (E_RNA)
where:
Base-Base interactions energy: -59.518
where: short stacking energy: -32.616
Base-Backbone interact. energy: 1.289
local terms energy: -68.562595
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: 2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -427.584985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.584985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.584985 (E_RNA)
where:
Base-Base interactions energy: -299.924
where: short stacking energy: -126.599
Base-Backbone interact. energy: -0.010
local terms energy: -127.651554
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -39.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -386.477529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.477529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.477529 (E_RNA)
where:
Base-Base interactions energy: -268.768
where: short stacking energy: -109.400
Base-Backbone interact. energy: 1.088
local terms energy: -118.797257
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -27.200
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: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -390.240797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.240797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.240797 (E_RNA)
where:
Base-Base interactions energy: -279.442
where: short stacking energy: -109.511
Base-Backbone interact. energy: 0.965
local terms energy: -111.763660
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -366.459204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.459204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.459204 (E_RNA)
where:
Base-Base interactions energy: -268.062
where: short stacking energy: -100.579
Base-Backbone interact. energy: -0.403
local terms energy: -97.994880
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -371.256495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.256495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.256495 (E_RNA)
where:
Base-Base interactions energy: -257.741
where: short stacking energy: -105.536
Base-Backbone interact. energy: -0.462
local terms energy: -113.053858
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -234.210693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.210693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.210693 (E_RNA)
where:
Base-Base interactions energy: -143.148
where: short stacking energy: -68.877
Base-Backbone interact. energy: 1.041
local terms energy: -92.104371
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -220.353636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.353636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.353636 (E_RNA)
where:
Base-Base interactions energy: -122.030
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.115
local terms energy: -98.208562
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -19.411
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: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -196.182634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.182634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.182634 (E_RNA)
where:
Base-Base interactions energy: -110.131
where: short stacking energy: -66.563
Base-Backbone interact. energy: 0.565
local terms energy: -86.616142
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -142.352541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.352541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.352541 (E_RNA)
where:
Base-Base interactions energy: -63.278
where: short stacking energy: -38.166
Base-Backbone interact. energy: -0.332
local terms energy: -78.742217
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -120.409625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.409625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.409625 (E_RNA)
where:
Base-Base interactions energy: -51.512
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.974
local terms energy: -67.923493
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: 0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -426.527717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.527717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.527717 (E_RNA)
where:
Base-Base interactions energy: -297.279
where: short stacking energy: -123.412
Base-Backbone interact. energy: -0.171
local terms energy: -129.077954
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -37.963
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: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -374.909114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.909114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.909114 (E_RNA)
where:
Base-Base interactions energy: -262.429
where: short stacking energy: -110.783
Base-Backbone interact. energy: 2.331
local terms energy: -114.811236
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -23.540
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: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -380.665046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.665046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.665046 (E_RNA)
where:
Base-Base interactions energy: -275.051
where: short stacking energy: -103.857
Base-Backbone interact. energy: -0.539
local terms energy: -105.074711
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -25.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -366.403405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.403405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.403405 (E_RNA)
where:
Base-Base interactions energy: -266.499
where: short stacking energy: -101.605
Base-Backbone interact. energy: -0.663
local terms energy: -99.241013
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -361.808987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.808987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.808987 (E_RNA)
where:
Base-Base interactions energy: -246.513
where: short stacking energy: -102.498
Base-Backbone interact. energy: -0.376
local terms energy: -114.920818
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -30.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -275.453208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.453208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.453208 (E_RNA)
where:
Base-Base interactions energy: -169.471
where: short stacking energy: -86.983
Base-Backbone interact. energy: -0.782
local terms energy: -105.200753
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -14.691
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: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -217.996869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.996869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.996869 (E_RNA)
where:
Base-Base interactions energy: -140.162
where: short stacking energy: -70.064
Base-Backbone interact. energy: 0.871
local terms energy: -78.706235
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -210.837263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.837263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.837263 (E_RNA)
where:
Base-Base interactions energy: -131.553
where: short stacking energy: -76.833
Base-Backbone interact. energy: -0.155
local terms energy: -79.129419
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -10.550
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: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -124.542829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.542829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.542829 (E_RNA)
where:
Base-Base interactions energy: -52.982
where: short stacking energy: -43.381
Base-Backbone interact. energy: -0.258
local terms energy: -71.302776
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -121.073876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.073876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.073876 (E_RNA)
where:
Base-Base interactions energy: -52.284
where: short stacking energy: -28.451
Base-Backbone interact. energy: -1.401
local terms energy: -67.388774
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -25.172
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: 5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -423.940766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.940766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.940766 (E_RNA)
where:
Base-Base interactions energy: -294.255
where: short stacking energy: -119.806
Base-Backbone interact. energy: -0.050
local terms energy: -129.635964
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -37.528
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: 359
Temperature: 0.950000
Total energy: -376.746635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.746635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.746635 (E_RNA)
where:
Base-Base interactions energy: -264.970
where: short stacking energy: -98.161
Base-Backbone interact. energy: -0.534
local terms energy: -111.242010
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -26.425
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: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -380.367324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.367324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.367324 (E_RNA)
where:
Base-Base interactions energy: -269.247
where: short stacking energy: -95.772
Base-Backbone interact. energy: -0.778
local terms energy: -110.342015
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -31.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -376.922956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.922956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.922956 (E_RNA)
where:
Base-Base interactions energy: -259.838
where: short stacking energy: -111.513
Base-Backbone interact. energy: -2.814
local terms energy: -114.270540
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -29.921
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: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -341.027176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.027176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.027176 (E_RNA)
where:
Base-Base interactions energy: -244.086
where: short stacking energy: -88.719
Base-Backbone interact. energy: -1.491
local terms energy: -95.450547
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -23.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -287.733730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.733730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.733730 (E_RNA)
where:
Base-Base interactions energy: -187.080
where: short stacking energy: -87.821
Base-Backbone interact. energy: 1.307
local terms energy: -101.960935
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -220.249017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.249017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.249017 (E_RNA)
where:
Base-Base interactions energy: -125.253
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.528
local terms energy: -94.468501
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -226.009580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.009580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.009580 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -80.149
Base-Backbone interact. energy: -0.366
local terms energy: -87.274613
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -128.428973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.428973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.428973 (E_RNA)
where:
Base-Base interactions energy: -60.309
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.349
local terms energy: -67.770935
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -107.802131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.802131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.802131 (E_RNA)
where:
Base-Base interactions energy: -41.997
where: short stacking energy: -41.161
Base-Backbone interact. energy: 3.472
local terms energy: -69.276548
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -425.406382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.406382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.406382 (E_RNA)
where:
Base-Base interactions energy: -293.063
where: short stacking energy: -120.188
Base-Backbone interact. energy: -0.640
local terms energy: -131.704051
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -38.260
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: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -369.663327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.663327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.663327 (E_RNA)
where:
Base-Base interactions energy: -257.334
where: short stacking energy: -102.349
Base-Backbone interact. energy: -0.685
local terms energy: -111.644338
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -28.111
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: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -390.771200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.771200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.771200 (E_RNA)
where:
Base-Base interactions energy: -280.996
where: short stacking energy: -109.897
Base-Backbone interact. energy: -0.364
local terms energy: -109.411265
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -361.290112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.290112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.290112 (E_RNA)
where:
Base-Base interactions energy: -251.711
where: short stacking energy: -93.494
Base-Backbone interact. energy: -0.618
local terms energy: -108.960623
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -337.969215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.969215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.969215 (E_RNA)
where:
Base-Base interactions energy: -233.799
where: short stacking energy: -87.372
Base-Backbone interact. energy: -0.833
local terms energy: -103.337606
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -19.823
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: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -282.714328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.714328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.714328 (E_RNA)
where:
Base-Base interactions energy: -175.674
where: short stacking energy: -81.416
Base-Backbone interact. energy: -0.485
local terms energy: -106.555040
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -25.077
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: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -249.511035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.511035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.511035 (E_RNA)
where:
Base-Base interactions energy: -154.625
where: short stacking energy: -75.960
Base-Backbone interact. energy: -0.092
local terms energy: -94.794045
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -237.316365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.316365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.316365 (E_RNA)
where:
Base-Base interactions energy: -151.139
where: short stacking energy: -80.909
Base-Backbone interact. energy: -0.058
local terms energy: -86.119014
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -135.211231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.211231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.211231 (E_RNA)
where:
Base-Base interactions energy: -65.757
where: short stacking energy: -52.666
Base-Backbone interact. energy: -0.172
local terms energy: -69.281489
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -7.958
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: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -111.820975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.820975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.820975 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.091
local terms energy: -78.546487
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -9.651
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: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -425.041840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.041840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.041840 (E_RNA)
where:
Base-Base interactions energy: -310.225
where: short stacking energy: -129.111
Base-Backbone interact. energy: -0.002
local terms energy: -114.815212
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -38.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -400.352895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.352895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.352895 (E_RNA)
where:
Base-Base interactions energy: -283.926
where: short stacking energy: -108.489
Base-Backbone interact. energy: -0.372
local terms energy: -116.054371
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -31.250
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: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -382.783907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.783907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.783907 (E_RNA)
where:
Base-Base interactions energy: -269.143
where: short stacking energy: -99.435
Base-Backbone interact. energy: 0.095
local terms energy: -113.735604
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -33.112
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: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -374.025092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.025092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.025092 (E_RNA)
where:
Base-Base interactions energy: -264.195
where: short stacking energy: -107.249
Base-Backbone interact. energy: -1.004
local terms energy: -108.826059
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -27.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -329.387076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.387076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.387076 (E_RNA)
where:
Base-Base interactions energy: -220.694
where: short stacking energy: -90.298
Base-Backbone interact. energy: -0.268
local terms energy: -108.425132
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -24.878
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: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -283.305655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.305655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.305655 (E_RNA)
where:
Base-Base interactions energy: -181.678
where: short stacking energy: -92.320
Base-Backbone interact. energy: -0.046
local terms energy: -101.581731
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -249.884567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.884567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.884567 (E_RNA)
where:
Base-Base interactions energy: -154.472
where: short stacking energy: -82.496
Base-Backbone interact. energy: -0.263
local terms energy: -95.149197
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -18.835
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: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -253.976885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.976885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.976885 (E_RNA)
where:
Base-Base interactions energy: -151.270
where: short stacking energy: -74.400
Base-Backbone interact. energy: -0.185
local terms energy: -102.521489
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -20.069
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: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -120.695744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.695744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.695744 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -50.939
Base-Backbone interact. energy: 4.039
local terms energy: -73.795910
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -127.115644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.115644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.115644 (E_RNA)
where:
Base-Base interactions energy: -63.596
where: short stacking energy: -45.765
Base-Backbone interact. energy: -0.149
local terms energy: -63.371540
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -404.137857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.137857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.137857 (E_RNA)
where:
Base-Base interactions energy: -280.900
where: short stacking energy: -102.272
Base-Backbone interact. energy: -0.552
local terms energy: -122.686571
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -31.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -424.630688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.630688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.630688 (E_RNA)
where:
Base-Base interactions energy: -309.438
where: short stacking energy: -129.793
Base-Backbone interact. energy: -0.501
local terms energy: -114.691333
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -37.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -373.750416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.750416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.750416 (E_RNA)
where:
Base-Base interactions energy: -261.806
where: short stacking energy: -106.068
Base-Backbone interact. energy: 0.849
local terms energy: -112.793152
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -28.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -378.846821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.846821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.846821 (E_RNA)
where:
Base-Base interactions energy: -264.188
where: short stacking energy: -97.981
Base-Backbone interact. energy: -1.057
local terms energy: -113.601613
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -26.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -343.525799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.525799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.525799 (E_RNA)
where:
Base-Base interactions energy: -246.250
where: short stacking energy: -104.577
Base-Backbone interact. energy: -0.655
local terms energy: -96.621274
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -25.584
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: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -283.931943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.931943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.931943 (E_RNA)
where:
Base-Base interactions energy: -182.968
where: short stacking energy: -89.616
Base-Backbone interact. energy: 0.470
local terms energy: -101.434104
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -249.742741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.742741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.742741 (E_RNA)
where:
Base-Base interactions energy: -151.484
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.294
local terms energy: -97.964392
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -16.017
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: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -193.457265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457265 (E_RNA)
where:
Base-Base interactions energy: -123.506
where: short stacking energy: -59.564
Base-Backbone interact. energy: -0.249
local terms energy: -69.701981
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -115.169225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.169225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.169225 (E_RNA)
where:
Base-Base interactions energy: -48.747
where: short stacking energy: -37.675
Base-Backbone interact. energy: 0.908
local terms energy: -67.329604
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -10.071
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: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -111.162544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.162544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.162544 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -44.565
Base-Backbone interact. energy: -0.206
local terms energy: -66.212633
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -9.993
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: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -398.846250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.846250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.846250 (E_RNA)
where:
Base-Base interactions energy: -286.038
where: short stacking energy: -109.447
Base-Backbone interact. energy: 0.673
local terms energy: -113.481222
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -30.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -421.513349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.513349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.513349 (E_RNA)
where:
Base-Base interactions energy: -302.304
where: short stacking energy: -125.744
Base-Backbone interact. energy: 0.592
local terms energy: -119.801790
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -35.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -372.450722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.450722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.450722 (E_RNA)
where:
Base-Base interactions energy: -261.144
where: short stacking energy: -95.826
Base-Backbone interact. energy: -0.537
local terms energy: -110.769323
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -377.622955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.622955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.622955 (E_RNA)
where:
Base-Base interactions energy: -274.826
where: short stacking energy: -104.302
Base-Backbone interact. energy: 0.767
local terms energy: -103.564479
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -30.680
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: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -344.653211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.653211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.653211 (E_RNA)
where:
Base-Base interactions energy: -232.840
where: short stacking energy: -91.452
Base-Backbone interact. energy: -0.908
local terms energy: -110.905343
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -29.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -295.416787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.416787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.416787 (E_RNA)
where:
Base-Base interactions energy: -189.554
where: short stacking energy: -88.031
Base-Backbone interact. energy: -0.662
local terms energy: -105.200610
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -270.461455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.461455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.461455 (E_RNA)
where:
Base-Base interactions energy: -175.363
where: short stacking energy: -77.260
Base-Backbone interact. energy: -0.286
local terms energy: -94.812263
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -207.355948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.355948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.355948 (E_RNA)
where:
Base-Base interactions energy: -136.476
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.071
local terms energy: -70.809039
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -121.988317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.988317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.988317 (E_RNA)
where:
Base-Base interactions energy: -47.283
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.179
local terms energy: -74.526737
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -1.115
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: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -118.072034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.072034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.072034 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.273
local terms energy: -78.532613
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -7.697
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: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -416.268230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.268230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.268230 (E_RNA)
where:
Base-Base interactions energy: -302.823
where: short stacking energy: -119.014
Base-Backbone interact. energy: -0.024
local terms energy: -113.421065
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -27.065
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -33.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -396.931141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.931141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.931141 (E_RNA)
where:
Base-Base interactions energy: -278.713
where: short stacking energy: -105.376
Base-Backbone interact. energy: -0.255
local terms energy: -117.963570
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -29.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -377.606387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.606387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.606387 (E_RNA)
where:
Base-Base interactions energy: -260.288
where: short stacking energy: -100.920
Base-Backbone interact. energy: -0.120
local terms energy: -117.198029
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -30.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -360.244593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.244593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.244593 (E_RNA)
where:
Base-Base interactions energy: -252.397
where: short stacking energy: -88.695
Base-Backbone interact. energy: -0.583
local terms energy: -107.264838
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -332.153586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.153586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.153586 (E_RNA)
where:
Base-Base interactions energy: -225.006
where: short stacking energy: -93.447
Base-Backbone interact. energy: 0.222
local terms energy: -107.369902
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -279.502265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.502265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.502265 (E_RNA)
where:
Base-Base interactions energy: -179.879
where: short stacking energy: -82.499
Base-Backbone interact. energy: -0.228
local terms energy: -99.395429
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -281.446086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.446086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.446086 (E_RNA)
where:
Base-Base interactions energy: -191.237
where: short stacking energy: -85.242
Base-Backbone interact. energy: 1.625
local terms energy: -91.833612
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -17.746
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: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -210.298012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.298012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.298012 (E_RNA)
where:
Base-Base interactions energy: -133.389
where: short stacking energy: -51.014
Base-Backbone interact. energy: -0.102
local terms energy: -76.806632
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -119.540428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.540428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.540428 (E_RNA)
where:
Base-Base interactions energy: -46.551
where: short stacking energy: -46.362
Base-Backbone interact. energy: 1.778
local terms energy: -74.767386
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -0.644
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: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -113.247883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.247883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.247883 (E_RNA)
where:
Base-Base interactions energy: -50.825
where: short stacking energy: -44.868
Base-Backbone interact. energy: -0.221
local terms energy: -62.201272
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -419.496227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.496227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.496227 (E_RNA)
where:
Base-Base interactions energy: -310.048
where: short stacking energy: -119.326
Base-Backbone interact. energy: -0.204
local terms energy: -109.244663
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -32.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -391.332234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.332234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.332234 (E_RNA)
where:
Base-Base interactions energy: -266.977
where: short stacking energy: -102.177
Base-Backbone interact. energy: -0.521
local terms energy: -123.834217
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -30.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -373.324831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.324831 (E_RNA)
where:
Base-Base interactions energy: -260.715
where: short stacking energy: -105.055
Base-Backbone interact. energy: -0.772
local terms energy: -111.838739
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -26.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -361.305113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.305113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.305113 (E_RNA)
where:
Base-Base interactions energy: -259.722
where: short stacking energy: -107.036
Base-Backbone interact. energy: -0.600
local terms energy: -100.982507
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -321.756711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.756711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.756711 (E_RNA)
where:
Base-Base interactions energy: -219.197
where: short stacking energy: -102.457
Base-Backbone interact. energy: -0.059
local terms energy: -102.500748
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -28.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -270.881319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.881319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.881319 (E_RNA)
where:
Base-Base interactions energy: -175.245
where: short stacking energy: -84.682
Base-Backbone interact. energy: -0.245
local terms energy: -95.391053
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -279.335282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.335282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.335282 (E_RNA)
where:
Base-Base interactions energy: -178.470
where: short stacking energy: -82.278
Base-Backbone interact. energy: -0.487
local terms energy: -100.377620
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -24.921
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: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -210.470550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.470550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.470550 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.431
local terms energy: -92.406060
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -16.461
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: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -120.051179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.051179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.051179 (E_RNA)
where:
Base-Base interactions energy: -45.022
where: short stacking energy: -41.403
Base-Backbone interact. energy: -1.099
local terms energy: -73.930168
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -6.125
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: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -126.337544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.337544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.337544 (E_RNA)
where:
Base-Base interactions energy: -55.068
where: short stacking energy: -43.488
Base-Backbone interact. energy: -0.297
local terms energy: -70.972191
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -430.579588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.579588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.579588 (E_RNA)
where:
Base-Base interactions energy: -308.887
where: short stacking energy: -129.707
Base-Backbone interact. energy: -0.027
local terms energy: -121.665748
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -25.088
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -35.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -397.883893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.883893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.883893 (E_RNA)
where:
Base-Base interactions energy: -276.214
where: short stacking energy: -116.760
Base-Backbone interact. energy: -0.029
local terms energy: -121.641178
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -376.291614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.291614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.291614 (E_RNA)
where:
Base-Base interactions energy: -262.303
where: short stacking energy: -96.148
Base-Backbone interact. energy: -0.685
local terms energy: -113.303603
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -370.147382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.147382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.147382 (E_RNA)
where:
Base-Base interactions energy: -258.763
where: short stacking energy: -108.028
Base-Backbone interact. energy: -0.118
local terms energy: -111.266440
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -26.732
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: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -333.786573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.786573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.786573 (E_RNA)
where:
Base-Base interactions energy: -219.695
where: short stacking energy: -98.672
Base-Backbone interact. energy: -0.108
local terms energy: -113.983769
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -23.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -284.243329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.243329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.243329 (E_RNA)
where:
Base-Base interactions energy: -181.597
where: short stacking energy: -82.126
Base-Backbone interact. energy: -0.303
local terms energy: -102.343090
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -274.503637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.503637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.503637 (E_RNA)
where:
Base-Base interactions energy: -178.646
where: short stacking energy: -86.560
Base-Backbone interact. energy: -1.366
local terms energy: -94.491636
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -9.382
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: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -194.967552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.967552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.967552 (E_RNA)
where:
Base-Base interactions energy: -113.786
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.461
local terms energy: -80.720367
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -116.789488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.789488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.789488 (E_RNA)
where:
Base-Base interactions energy: -49.711
where: short stacking energy: -28.414
Base-Backbone interact. energy: -0.306
local terms energy: -66.772906
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: 8.162
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: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -119.427593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.427593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.427593 (E_RNA)
where:
Base-Base interactions energy: -57.607
where: short stacking energy: -42.701
Base-Backbone interact. energy: 2.600
local terms energy: -64.420341
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -422.810744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.810744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.810744 (E_RNA)
where:
Base-Base interactions energy: -303.391
where: short stacking energy: -127.662
Base-Backbone interact. energy: -0.306
local terms energy: -119.113906
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -36.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -400.652008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.652008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.652008 (E_RNA)
where:
Base-Base interactions energy: -275.670
where: short stacking energy: -108.895
Base-Backbone interact. energy: -0.521
local terms energy: -124.461085
where:
bonds (distance) C4'-P energy: -26.136
bonds (distance) P-C4' energy: -26.703
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -31.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -388.073828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.073828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.073828 (E_RNA)
where:
Base-Base interactions energy: -272.543
where: short stacking energy: -117.256
Base-Backbone interact. energy: 0.005
local terms energy: -115.536279
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -369.431251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.431251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.431251 (E_RNA)
where:
Base-Base interactions energy: -259.203
where: short stacking energy: -109.289
Base-Backbone interact. energy: -0.370
local terms energy: -109.858404
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -25.239
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: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -314.335062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.335062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.335062 (E_RNA)
where:
Base-Base interactions energy: -210.821
where: short stacking energy: -102.958
Base-Backbone interact. energy: -0.157
local terms energy: -103.357274
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -22.469
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: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -280.980881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.980881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.980881 (E_RNA)
where:
Base-Base interactions energy: -174.538
where: short stacking energy: -86.942
Base-Backbone interact. energy: -0.632
local terms energy: -105.811603
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -25.333
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: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -251.179448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.179448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.179448 (E_RNA)
where:
Base-Base interactions energy: -158.634
where: short stacking energy: -81.386
Base-Backbone interact. energy: 0.996
local terms energy: -93.541795
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -23.824
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: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -143.735113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.735113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.735113 (E_RNA)
where:
Base-Base interactions energy: -57.542
where: short stacking energy: -31.375
Base-Backbone interact. energy: -0.100
local terms energy: -86.092907
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -186.578405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.578405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.578405 (E_RNA)
where:
Base-Base interactions energy: -109.295
where: short stacking energy: -55.296
Base-Backbone interact. energy: 0.835
local terms energy: -78.118688
where:
bonds (distance) C4'-P energy: -24.746
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -164.669200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.669200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.669200 (E_RNA)
where:
Base-Base interactions energy: -80.142
where: short stacking energy: -51.630
Base-Backbone interact. energy: 0.265
local terms energy: -84.792446
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.440
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: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -422.221905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.221905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.221905 (E_RNA)
where:
Base-Base interactions energy: -311.407
where: short stacking energy: -126.295
Base-Backbone interact. energy: -0.079
local terms energy: -110.735685
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -35.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -391.277168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.277168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.277168 (E_RNA)
where:
Base-Base interactions energy: -278.687
where: short stacking energy: -111.771
Base-Backbone interact. energy: -1.209
local terms energy: -111.380554
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -390.822618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.822618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.822618 (E_RNA)
where:
Base-Base interactions energy: -273.197
where: short stacking energy: -109.215
Base-Backbone interact. energy: -0.671
local terms energy: -116.954451
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -378.978663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.978663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.978663 (E_RNA)
where:
Base-Base interactions energy: -265.007
where: short stacking energy: -110.127
Base-Backbone interact. energy: 3.286
local terms energy: -117.257975
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -31.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -348.275118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.275118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.275118 (E_RNA)
where:
Base-Base interactions energy: -256.091
where: short stacking energy: -102.189
Base-Backbone interact. energy: 0.736
local terms energy: -92.920087
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -285.022365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.022365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.022365 (E_RNA)
where:
Base-Base interactions energy: -174.314
where: short stacking energy: -83.905
Base-Backbone interact. energy: -0.814
local terms energy: -109.894640
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -21.289
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: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -155.223975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.223975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.223975 (E_RNA)
where:
Base-Base interactions energy: -91.526
where: short stacking energy: -44.423
Base-Backbone interact. energy: -0.531
local terms energy: -63.166312
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -227.880846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.880846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.880846 (E_RNA)
where:
Base-Base interactions energy: -146.144
where: short stacking energy: -73.616
Base-Backbone interact. energy: 2.484
local terms energy: -84.221596
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -196.225175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.225175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.225175 (E_RNA)
where:
Base-Base interactions energy: -119.564
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.158
local terms energy: -76.502955
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -8.977
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: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -157.978656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.978656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.978656 (E_RNA)
where:
Base-Base interactions energy: -86.775
where: short stacking energy: -38.925
Base-Backbone interact. energy: -0.418
local terms energy: -70.786457
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -16.195
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: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -434.224281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.224281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.224281 (E_RNA)
where:
Base-Base interactions energy: -311.290
where: short stacking energy: -124.333
Base-Backbone interact. energy: -0.013
local terms energy: -122.921053
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -38.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -389.238744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.238744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.238744 (E_RNA)
where:
Base-Base interactions energy: -278.712
where: short stacking energy: -101.992
Base-Backbone interact. energy: -0.516
local terms energy: -110.010878
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -29.365
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: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -391.404631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.404631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.404631 (E_RNA)
where:
Base-Base interactions energy: -278.532
where: short stacking energy: -109.195
Base-Backbone interact. energy: -0.429
local terms energy: -112.443979
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -381.883980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.883980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.883980 (E_RNA)
where:
Base-Base interactions energy: -268.107
where: short stacking energy: -103.295
Base-Backbone interact. energy: -0.635
local terms energy: -113.141865
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -27.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -348.290825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.290825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.290825 (E_RNA)
where:
Base-Base interactions energy: -247.001
where: short stacking energy: -101.524
Base-Backbone interact. energy: -0.322
local terms energy: -100.968064
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -28.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -269.486296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.486296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.486296 (E_RNA)
where:
Base-Base interactions energy: -171.551
where: short stacking energy: -86.254
Base-Backbone interact. energy: 0.095
local terms energy: -98.029887
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -26.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -138.887565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.887565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.887565 (E_RNA)
where:
Base-Base interactions energy: -64.159
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.144
local terms energy: -74.584888
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -4.951
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -227.665400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.665400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.665400 (E_RNA)
where:
Base-Base interactions energy: -147.725
where: short stacking energy: -75.970
Base-Backbone interact. energy: -1.255
local terms energy: -78.685132
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -13.598
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: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -170.714480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.714480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.714480 (E_RNA)
where:
Base-Base interactions energy: -87.826
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.375
local terms energy: -82.513809
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -155.228211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.228211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.228211 (E_RNA)
where:
Base-Base interactions energy: -76.010
where: short stacking energy: -41.230
Base-Backbone interact. energy: 0.259
local terms energy: -79.477298
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -14.237
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: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -394.542510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.542510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.542510 (E_RNA)
where:
Base-Base interactions energy: -283.120
where: short stacking energy: -106.294
Base-Backbone interact. energy: -0.367
local terms energy: -111.055722
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -419.690700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.690700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.690700 (E_RNA)
where:
Base-Base interactions energy: -299.745
where: short stacking energy: -112.563
Base-Backbone interact. energy: -1.051
local terms energy: -118.894251
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -36.261
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -376.743797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.743797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.743797 (E_RNA)
where:
Base-Base interactions energy: -265.798
where: short stacking energy: -102.801
Base-Backbone interact. energy: -0.802
local terms energy: -110.143779
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -27.837
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: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -355.511856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.511856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.511856 (E_RNA)
where:
Base-Base interactions energy: -249.827
where: short stacking energy: -96.779
Base-Backbone interact. energy: -0.179
local terms energy: -105.505571
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -26.498
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -22.742
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: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -365.725735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.725735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.725735 (E_RNA)
where:
Base-Base interactions energy: -262.850
where: short stacking energy: -103.972
Base-Backbone interact. energy: 0.162
local terms energy: -103.037962
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -30.905
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: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -263.084028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.084028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.084028 (E_RNA)
where:
Base-Base interactions energy: -160.254
where: short stacking energy: -73.905
Base-Backbone interact. energy: -0.305
local terms energy: -102.525257
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -15.221
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: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -239.201981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.201981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.201981 (E_RNA)
where:
Base-Base interactions energy: -147.661
where: short stacking energy: -70.119
Base-Backbone interact. energy: -1.102
local terms energy: -90.438528
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -128.192273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.192273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.192273 (E_RNA)
where:
Base-Base interactions energy: -44.351
where: short stacking energy: -41.631
Base-Backbone interact. energy: -0.171
local terms energy: -83.669539
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -7.655
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: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -222.991179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991179 (E_RNA)
where:
Base-Base interactions energy: -142.921
where: short stacking energy: -62.320
Base-Backbone interact. energy: -0.436
local terms energy: -79.634206
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -1.674
tors. eta vs tors. theta energy: -5.311
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: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -152.558816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.558816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.558816 (E_RNA)
where:
Base-Base interactions energy: -79.609
where: short stacking energy: -46.878
Base-Backbone interact. energy: -0.609
local terms energy: -72.339922
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -397.738434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.738434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.738434 (E_RNA)
where:
Base-Base interactions energy: -280.677
where: short stacking energy: -113.396
Base-Backbone interact. energy: -0.116
local terms energy: -116.946251
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -411.423041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.423041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.423041 (E_RNA)
where:
Base-Base interactions energy: -286.287
where: short stacking energy: -113.892
Base-Backbone interact. energy: -0.279
local terms energy: -124.856711
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -25.045
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -30.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -385.062903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.062903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.062903 (E_RNA)
where:
Base-Base interactions energy: -278.016
where: short stacking energy: -108.403
Base-Backbone interact. energy: -0.879
local terms energy: -106.168116
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -23.739
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: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -350.218389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.218389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.218389 (E_RNA)
where:
Base-Base interactions energy: -241.756
where: short stacking energy: -98.100
Base-Backbone interact. energy: -0.705
local terms energy: -107.757727
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -23.937
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: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -354.557470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.557470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.557470 (E_RNA)
where:
Base-Base interactions energy: -250.745
where: short stacking energy: -95.687
Base-Backbone interact. energy: 0.542
local terms energy: -104.354773
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -25.450
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -273.030937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.030937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.030937 (E_RNA)
where:
Base-Base interactions energy: -170.402
where: short stacking energy: -90.070
Base-Backbone interact. energy: -0.015
local terms energy: -102.614365
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -24.988
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: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -233.850741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.850741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.850741 (E_RNA)
where:
Base-Base interactions energy: -142.214
where: short stacking energy: -73.232
Base-Backbone interact. energy: -0.710
local terms energy: -90.926626
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -216.817417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.817417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.817417 (E_RNA)
where:
Base-Base interactions energy: -125.802
where: short stacking energy: -63.083
Base-Backbone interact. energy: 0.593
local terms energy: -91.608598
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -8.677
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: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -181.676396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.676396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.676396 (E_RNA)
where:
Base-Base interactions energy: -119.147
where: short stacking energy: -63.900
Base-Backbone interact. energy: 0.143
local terms energy: -62.672414
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -183.952704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.952704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.952704 (E_RNA)
where:
Base-Base interactions energy: -100.344
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.961
local terms energy: -82.647919
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -13.567
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: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -411.464903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.464903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.464903 (E_RNA)
where:
Base-Base interactions energy: -297.499
where: short stacking energy: -118.832
Base-Backbone interact. energy: -0.352
local terms energy: -113.614048
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -30.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -395.991250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.991250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.991250 (E_RNA)
where:
Base-Base interactions energy: -279.390
where: short stacking energy: -107.596
Base-Backbone interact. energy: -0.120
local terms energy: -116.481010
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -28.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -389.673595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.673595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.673595 (E_RNA)
where:
Base-Base interactions energy: -275.824
where: short stacking energy: -109.103
Base-Backbone interact. energy: -0.056
local terms energy: -113.793742
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -332.716363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.716363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.716363 (E_RNA)
where:
Base-Base interactions energy: -227.900
where: short stacking energy: -100.113
Base-Backbone interact. energy: -1.381
local terms energy: -103.435669
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -18.916
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: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -352.529893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.529893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.529893 (E_RNA)
where:
Base-Base interactions energy: -255.821
where: short stacking energy: -98.748
Base-Backbone interact. energy: -0.285
local terms energy: -96.423297
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -269.529949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.529949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.529949 (E_RNA)
where:
Base-Base interactions energy: -170.389
where: short stacking energy: -88.068
Base-Backbone interact. energy: -0.138
local terms energy: -99.002687
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -194.731704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.731704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.731704 (E_RNA)
where:
Base-Base interactions energy: -117.560
where: short stacking energy: -56.696
Base-Backbone interact. energy: -0.819
local terms energy: -76.352441
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -227.016918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.016918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.016918 (E_RNA)
where:
Base-Base interactions energy: -132.391
where: short stacking energy: -65.576
Base-Backbone interact. energy: -1.474
local terms energy: -93.151858
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -14.232
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: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -190.814285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.814285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.814285 (E_RNA)
where:
Base-Base interactions energy: -118.300
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.203
local terms energy: -72.310697
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -161.312389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.312389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.312389 (E_RNA)
where:
Base-Base interactions energy: -83.136
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.506
local terms energy: -77.670312
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -16.192
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: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -403.544326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.544326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.544326 (E_RNA)
where:
Base-Base interactions energy: -281.491
where: short stacking energy: -113.008
Base-Backbone interact. energy: -0.181
local terms energy: -121.872123
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -31.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -406.130876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.130876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.130876 (E_RNA)
where:
Base-Base interactions energy: -294.003
where: short stacking energy: -117.261
Base-Backbone interact. energy: -0.642
local terms energy: -111.485644
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -27.508
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: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -390.377819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.377819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.377819 (E_RNA)
where:
Base-Base interactions energy: -275.403
where: short stacking energy: -105.952
Base-Backbone interact. energy: -0.983
local terms energy: -113.991684
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -30.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -369.668622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.668622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.668622 (E_RNA)
where:
Base-Base interactions energy: -265.133
where: short stacking energy: -96.136
Base-Backbone interact. energy: -0.500
local terms energy: -104.035362
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -26.281
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: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -313.402358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.402358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.402358 (E_RNA)
where:
Base-Base interactions energy: -210.331
where: short stacking energy: -77.308
Base-Backbone interact. energy: -0.868
local terms energy: -102.203178
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -266.549898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.549898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.549898 (E_RNA)
where:
Base-Base interactions energy: -162.294
where: short stacking energy: -80.298
Base-Backbone interact. energy: -0.136
local terms energy: -104.119194
where:
bonds (distance) C4'-P energy: -25.796
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -184.183489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.183489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.183489 (E_RNA)
where:
Base-Base interactions energy: -105.865
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.151
local terms energy: -78.167162
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -245.288905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.288905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.288905 (E_RNA)
where:
Base-Base interactions energy: -146.647
where: short stacking energy: -75.756
Base-Backbone interact. energy: -0.635
local terms energy: -98.006161
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.444
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: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -198.657269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.657269 (E_RNA)
where:
Base-Base interactions energy: -114.948
where: short stacking energy: -58.432
Base-Backbone interact. energy: -0.202
local terms energy: -83.507553
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -110.751352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.751352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.751352 (E_RNA)
where:
Base-Base interactions energy: -40.799
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.032
local terms energy: -69.919956
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -403.682187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.682187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.682187 (E_RNA)
where:
Base-Base interactions energy: -287.483
where: short stacking energy: -118.893
Base-Backbone interact. energy: -0.445
local terms energy: -115.753510
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -31.356
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: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -404.631041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.631041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.631041 (E_RNA)
where:
Base-Base interactions energy: -287.287
where: short stacking energy: -121.369
Base-Backbone interact. energy: -0.577
local terms energy: -116.767364
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -35.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -368.976971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.976971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.976971 (E_RNA)
where:
Base-Base interactions energy: -259.901
where: short stacking energy: -104.142
Base-Backbone interact. energy: -0.581
local terms energy: -108.494208
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -25.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -384.474077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.474077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.474077 (E_RNA)
where:
Base-Base interactions energy: -275.112
where: short stacking energy: -105.107
Base-Backbone interact. energy: 0.096
local terms energy: -109.457335
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -25.303
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: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -314.562870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.562870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.562870 (E_RNA)
where:
Base-Base interactions energy: -210.993
where: short stacking energy: -98.892
Base-Backbone interact. energy: -0.759
local terms energy: -102.811150
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -27.455
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: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -248.437369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.437369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.437369 (E_RNA)
where:
Base-Base interactions energy: -155.384
where: short stacking energy: -61.022
Base-Backbone interact. energy: -1.155
local terms energy: -91.898948
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -240.796568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.796568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.796568 (E_RNA)
where:
Base-Base interactions energy: -158.965
where: short stacking energy: -72.029
Base-Backbone interact. energy: -0.126
local terms energy: -81.705216
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -187.886558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.886558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.886558 (E_RNA)
where:
Base-Base interactions energy: -98.506
where: short stacking energy: -52.719
Base-Backbone interact. energy: -0.876
local terms energy: -88.504411
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -198.896378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.896378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.896378 (E_RNA)
where:
Base-Base interactions energy: -124.589
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.205
local terms energy: -74.102603
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -104.596075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.596075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.596075 (E_RNA)
where:
Base-Base interactions energy: -40.161
where: short stacking energy: -37.011
Base-Backbone interact. energy: 0.791
local terms energy: -65.225561
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -401.727977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.727977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.727977 (E_RNA)
where:
Base-Base interactions energy: -283.452
where: short stacking energy: -113.844
Base-Backbone interact. energy: -0.404
local terms energy: -117.872317
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -404.164454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.164454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.164454 (E_RNA)
where:
Base-Base interactions energy: -276.080
where: short stacking energy: -108.731
Base-Backbone interact. energy: -0.017
local terms energy: -128.067857
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -37.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -368.194938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.194938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.194938 (E_RNA)
where:
Base-Base interactions energy: -253.914
where: short stacking energy: -105.014
Base-Backbone interact. energy: -1.216
local terms energy: -113.064810
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -386.377449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.377449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.377449 (E_RNA)
where:
Base-Base interactions energy: -277.913
where: short stacking energy: -113.038
Base-Backbone interact. energy: -0.775
local terms energy: -107.689664
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -27.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -318.673726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.673726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.673726 (E_RNA)
where:
Base-Base interactions energy: -215.273
where: short stacking energy: -90.485
Base-Backbone interact. energy: 0.887
local terms energy: -104.287539
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -26.030
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -23.360
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: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -231.596708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.596708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.596708 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.236
local terms energy: -93.918751
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -233.083204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.083204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.083204 (E_RNA)
where:
Base-Base interactions energy: -144.052
where: short stacking energy: -78.528
Base-Backbone interact. energy: 0.073
local terms energy: -89.104362
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -191.802738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.802738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.802738 (E_RNA)
where:
Base-Base interactions energy: -115.956
where: short stacking energy: -54.938
Base-Backbone interact. energy: 1.633
local terms energy: -77.479218
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -191.432369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.432369 (E_RNA)
where:
Base-Base interactions energy: -105.285
where: short stacking energy: -60.476
Base-Backbone interact. energy: 0.514
local terms energy: -86.661437
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -5.477
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: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -117.431849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.431849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.431849 (E_RNA)
where:
Base-Base interactions energy: -49.062
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.230
local terms energy: -68.139931
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -13.420
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: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -408.489754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.489754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.489754 (E_RNA)
where:
Base-Base interactions energy: -288.348
where: short stacking energy: -109.783
Base-Backbone interact. energy: -0.513
local terms energy: -119.628972
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -28.776
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: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -411.673426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.673426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.673426 (E_RNA)
where:
Base-Base interactions energy: -283.852
where: short stacking energy: -113.086
Base-Backbone interact. energy: -0.045
local terms energy: -127.776549
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -35.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -388.858791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.858791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.858791 (E_RNA)
where:
Base-Base interactions energy: -276.497
where: short stacking energy: -105.970
Base-Backbone interact. energy: -1.411
local terms energy: -110.951105
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -367.938192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.938192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.938192 (E_RNA)
where:
Base-Base interactions energy: -254.776
where: short stacking energy: -94.929
Base-Backbone interact. energy: -0.493
local terms energy: -112.669415
where:
bonds (distance) C4'-P energy: -25.056
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -23.244
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -258.211248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.211248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.211248 (E_RNA)
where:
Base-Base interactions energy: -167.062
where: short stacking energy: -74.327
Base-Backbone interact. energy: 2.347
local terms energy: -93.497041
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -22.295
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: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -307.970757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.970757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.970757 (E_RNA)
where:
Base-Base interactions energy: -213.784
where: short stacking energy: -88.612
Base-Backbone interact. energy: 0.809
local terms energy: -94.995832
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -244.493226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.493226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.493226 (E_RNA)
where:
Base-Base interactions energy: -151.563
where: short stacking energy: -77.427
Base-Backbone interact. energy: -0.018
local terms energy: -92.912424
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -197.048622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.048622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.048622 (E_RNA)
where:
Base-Base interactions energy: -112.719
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.152
local terms energy: -84.177558
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -189.752421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.752421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.752421 (E_RNA)
where:
Base-Base interactions energy: -113.128
where: short stacking energy: -53.346
Base-Backbone interact. energy: -1.468
local terms energy: -75.156725
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -121.552029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.552029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.552029 (E_RNA)
where:
Base-Base interactions energy: -47.261
where: short stacking energy: -41.441
Base-Backbone interact. energy: 1.449
local terms energy: -75.740397
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -405.107677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.107677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.107677 (E_RNA)
where:
Base-Base interactions energy: -284.458
where: short stacking energy: -108.523
Base-Backbone interact. energy: -0.677
local terms energy: -119.973196
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -25.685
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -27.702
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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -410.759039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.759039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.759039 (E_RNA)
where:
Base-Base interactions energy: -283.364
where: short stacking energy: -121.267
Base-Backbone interact. energy: -0.131
local terms energy: -127.263817
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -33.890
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: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -378.234678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.234678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.234678 (E_RNA)
where:
Base-Base interactions energy: -273.988
where: short stacking energy: -105.749
Base-Backbone interact. energy: -0.434
local terms energy: -103.813157
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -27.641
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: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -365.477309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.477309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.477309 (E_RNA)
where:
Base-Base interactions energy: -264.596
where: short stacking energy: -98.317
Base-Backbone interact. energy: 0.948
local terms energy: -101.829554
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -287.746242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.746242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.746242 (E_RNA)
where:
Base-Base interactions energy: -183.819
where: short stacking energy: -85.754
Base-Backbone interact. energy: -0.276
local terms energy: -103.651024
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -14.082
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: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -312.083210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.083210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.083210 (E_RNA)
where:
Base-Base interactions energy: -219.031
where: short stacking energy: -91.985
Base-Backbone interact. energy: 0.787
local terms energy: -93.838584
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -237.367690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.367690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.367690 (E_RNA)
where:
Base-Base interactions energy: -142.924
where: short stacking energy: -77.820
Base-Backbone interact. energy: -0.238
local terms energy: -94.205389
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -191.806645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.806645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.806645 (E_RNA)
where:
Base-Base interactions energy: -115.199
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.580
local terms energy: -76.026914
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -208.948069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.948069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.948069 (E_RNA)
where:
Base-Base interactions energy: -123.069
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.931
local terms energy: -84.947658
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -12.801
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: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -138.537420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.537420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.537420 (E_RNA)
where:
Base-Base interactions energy: -73.503
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.849
local terms energy: -64.185281
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -2.430
tors. eta vs tors. theta energy: 2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -419.358335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.358335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.358335 (E_RNA)
where:
Base-Base interactions energy: -287.029
where: short stacking energy: -117.337
Base-Backbone interact. energy: -0.002
local terms energy: -132.327471
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -34.468
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: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -398.403467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.403467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.403467 (E_RNA)
where:
Base-Base interactions energy: -282.999
where: short stacking energy: -110.948
Base-Backbone interact. energy: -0.660
local terms energy: -114.744327
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -365.821463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.821463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.821463 (E_RNA)
where:
Base-Base interactions energy: -256.206
where: short stacking energy: -96.164
Base-Backbone interact. energy: 0.132
local terms energy: -109.747318
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -380.385510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.385510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.385510 (E_RNA)
where:
Base-Base interactions energy: -275.333
where: short stacking energy: -108.472
Base-Backbone interact. energy: 0.391
local terms energy: -105.443354
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -24.884
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: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -347.446518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.446518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.446518 (E_RNA)
where:
Base-Base interactions energy: -243.713
where: short stacking energy: -99.697
Base-Backbone interact. energy: 5.344
local terms energy: -109.076950
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -27.562
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: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -300.749392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.749392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.749392 (E_RNA)
where:
Base-Base interactions energy: -188.148
where: short stacking energy: -86.989
Base-Backbone interact. energy: -0.145
local terms energy: -112.456280
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -27.287
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: 378
Temperature: 1.200000
Total energy: -253.205066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.205066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.205066 (E_RNA)
where:
Base-Base interactions energy: -162.553
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.948
local terms energy: -89.703655
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -12.315
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: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -248.238141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.238141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.238141 (E_RNA)
where:
Base-Base interactions energy: -163.787
where: short stacking energy: -87.415
Base-Backbone interact. energy: -0.514
local terms energy: -83.936882
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -11.786
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: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -207.409987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.409987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.409987 (E_RNA)
where:
Base-Base interactions energy: -119.287
where: short stacking energy: -66.716
Base-Backbone interact. energy: -0.005
local terms energy: -88.117534
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -105.814427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.814427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.814427 (E_RNA)
where:
Base-Base interactions energy: -40.142
where: short stacking energy: -32.184
Base-Backbone interact. energy: -0.074
local terms energy: -65.598383
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -410.747221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.747221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.747221 (E_RNA)
where:
Base-Base interactions energy: -297.734
where: short stacking energy: -111.588
Base-Backbone interact. energy: -0.091
local terms energy: -112.921667
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -37.671
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: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -399.383805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.383805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.383805 (E_RNA)
where:
Base-Base interactions energy: -277.534
where: short stacking energy: -107.798
Base-Backbone interact. energy: -0.042
local terms energy: -121.808241
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -362.580022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.580022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.580022 (E_RNA)
where:
Base-Base interactions energy: -265.510
where: short stacking energy: -94.280
Base-Backbone interact. energy: -0.516
local terms energy: -96.554654
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -387.458179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.458179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.458179 (E_RNA)
where:
Base-Base interactions energy: -283.238
where: short stacking energy: -111.813
Base-Backbone interact. energy: 0.722
local terms energy: -104.942169
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -318.427020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.427020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.427020 (E_RNA)
where:
Base-Base interactions energy: -211.502
where: short stacking energy: -88.154
Base-Backbone interact. energy: -0.429
local terms energy: -106.496579
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -25.049
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: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -282.275273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.275273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.275273 (E_RNA)
where:
Base-Base interactions energy: -180.127
where: short stacking energy: -79.486
Base-Backbone interact. energy: -0.631
local terms energy: -101.517183
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -17.249
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: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -228.574191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.574191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.574191 (E_RNA)
where:
Base-Base interactions energy: -143.018
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.285
local terms energy: -85.271640
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -13.983
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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -196.785567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.785567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.785567 (E_RNA)
where:
Base-Base interactions energy: -119.262
where: short stacking energy: -60.699
Base-Backbone interact. energy: 0.122
local terms energy: -77.645511
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -9.050
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: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -204.096217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.096217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.096217 (E_RNA)
where:
Base-Base interactions energy: -115.556
where: short stacking energy: -64.793
Base-Backbone interact. energy: 3.706
local terms energy: -92.246511
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -14.949
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: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -116.240931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.240931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.240931 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -24.751
Base-Backbone interact. energy: -1.016
local terms energy: -62.005582
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: 7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -385.973821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.973821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.973821 (E_RNA)
where:
Base-Base interactions energy: -270.056
where: short stacking energy: -111.997
Base-Backbone interact. energy: -0.637
local terms energy: -115.281045
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -28.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -406.066471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.066471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.066471 (E_RNA)
where:
Base-Base interactions energy: -286.521
where: short stacking energy: -120.317
Base-Backbone interact. energy: -0.014
local terms energy: -119.531358
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -35.930
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: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -366.454569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.454569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.454569 (E_RNA)
where:
Base-Base interactions energy: -258.991
where: short stacking energy: -97.579
Base-Backbone interact. energy: -1.308
local terms energy: -106.155696
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -348.479231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.479231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.479231 (E_RNA)
where:
Base-Base interactions energy: -240.987
where: short stacking energy: -89.671
Base-Backbone interact. energy: -0.426
local terms energy: -107.066205
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -25.822
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: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -321.014075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.014075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.014075 (E_RNA)
where:
Base-Base interactions energy: -221.478
where: short stacking energy: -100.749
Base-Backbone interact. energy: 0.943
local terms energy: -100.478272
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -282.088679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.088679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.088679 (E_RNA)
where:
Base-Base interactions energy: -165.086
where: short stacking energy: -82.685
Base-Backbone interact. energy: -0.340
local terms energy: -116.662982
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -25.530
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -28.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -227.756128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.756128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.756128 (E_RNA)
where:
Base-Base interactions energy: -142.973
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.295
local terms energy: -84.487337
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -232.285820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.285820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.285820 (E_RNA)
where:
Base-Base interactions energy: -136.480
where: short stacking energy: -66.675
Base-Backbone interact. energy: 0.431
local terms energy: -96.236145
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -14.261
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: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -193.983122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.983122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.983122 (E_RNA)
where:
Base-Base interactions energy: -111.098
where: short stacking energy: -71.255
Base-Backbone interact. energy: 0.007
local terms energy: -82.891618
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -9.725
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: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -117.123740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.123740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.123740 (E_RNA)
where:
Base-Base interactions energy: -54.976
where: short stacking energy: -29.590
Base-Backbone interact. energy: 1.872
local terms energy: -64.019832
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -403.459836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.459836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.459836 (E_RNA)
where:
Base-Base interactions energy: -285.894
where: short stacking energy: -119.161
Base-Backbone interact. energy: -0.204
local terms energy: -117.362513
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -30.826
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: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -383.637324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.637324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.637324 (E_RNA)
where:
Base-Base interactions energy: -269.867
where: short stacking energy: -101.113
Base-Backbone interact. energy: -0.740
local terms energy: -113.030144
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -14.498
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: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -407.243976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.243976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.243976 (E_RNA)
where:
Base-Base interactions energy: -285.265
where: short stacking energy: -116.046
Base-Backbone interact. energy: -0.007
local terms energy: -121.971548
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -23.016
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -36.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -365.498644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.498644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.498644 (E_RNA)
where:
Base-Base interactions energy: -259.117
where: short stacking energy: -96.355
Base-Backbone interact. energy: -0.615
local terms energy: -105.767008
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -27.774
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: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -322.500410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.500410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.500410 (E_RNA)
where:
Base-Base interactions energy: -218.789
where: short stacking energy: -91.453
Base-Backbone interact. energy: -0.242
local terms energy: -103.469320
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -25.626
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -309.702767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.702767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.702767 (E_RNA)
where:
Base-Base interactions energy: -206.156
where: short stacking energy: -109.832
Base-Backbone interact. energy: -0.110
local terms energy: -103.436942
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -30.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -248.115995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.115995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.115995 (E_RNA)
where:
Base-Base interactions energy: -160.090
where: short stacking energy: -79.301
Base-Backbone interact. energy: -0.061
local terms energy: -87.965145
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -15.513
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: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -182.684263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.684263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.684263 (E_RNA)
where:
Base-Base interactions energy: -103.843
where: short stacking energy: -53.523
Base-Backbone interact. energy: 2.012
local terms energy: -80.853256
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -8.827
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: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -249.636648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.636648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.636648 (E_RNA)
where:
Base-Base interactions energy: -169.901
where: short stacking energy: -70.078
Base-Backbone interact. energy: 1.174
local terms energy: -80.910055
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -111.498299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.498299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.498299 (E_RNA)
where:
Base-Base interactions energy: -51.479
where: short stacking energy: -32.082
Base-Backbone interact. energy: -0.237
local terms energy: -59.782650
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -399.562729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.562729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.562729 (E_RNA)
where:
Base-Base interactions energy: -275.416
where: short stacking energy: -100.730
Base-Backbone interact. energy: -0.120
local terms energy: -124.026588
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -386.012983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.012983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.012983 (E_RNA)
where:
Base-Base interactions energy: -278.371
where: short stacking energy: -113.752
Base-Backbone interact. energy: -0.272
local terms energy: -107.369756
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -30.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -409.205352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.205352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.205352 (E_RNA)
where:
Base-Base interactions energy: -286.669
where: short stacking energy: -124.599
Base-Backbone interact. energy: -0.100
local terms energy: -122.436302
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -34.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -366.949506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.949506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.949506 (E_RNA)
where:
Base-Base interactions energy: -249.294
where: short stacking energy: -100.991
Base-Backbone interact. energy: -0.679
local terms energy: -116.975762
where:
bonds (distance) C4'-P energy: -26.593
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -28.252
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: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -339.927485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.927485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.927485 (E_RNA)
where:
Base-Base interactions energy: -229.202
where: short stacking energy: -115.591
Base-Backbone interact. energy: 0.234
local terms energy: -110.959601
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -32.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -308.943361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.943361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.943361 (E_RNA)
where:
Base-Base interactions energy: -204.872
where: short stacking energy: -78.485
Base-Backbone interact. energy: -0.893
local terms energy: -103.178225
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -20.026
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: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -193.174422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.174422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.174422 (E_RNA)
where:
Base-Base interactions energy: -110.066
where: short stacking energy: -54.349
Base-Backbone interact. energy: 1.118
local terms energy: -84.226207
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -253.947501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.947501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.947501 (E_RNA)
where:
Base-Base interactions energy: -158.136
where: short stacking energy: -72.912
Base-Backbone interact. energy: -0.387
local terms energy: -95.424265
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -16.740
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: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -137.806316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.806316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.806316 (E_RNA)
where:
Base-Base interactions energy: -55.991
where: short stacking energy: -38.816
Base-Backbone interact. energy: -0.353
local terms energy: -81.462797
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -14.671
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: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -209.093827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.093827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.093827 (E_RNA)
where:
Base-Base interactions energy: -135.104
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.133
local terms energy: -73.856332
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -9.360
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: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -404.364984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.364984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.364984 (E_RNA)
where:
Base-Base interactions energy: -286.308
where: short stacking energy: -107.803
Base-Backbone interact. energy: -0.793
local terms energy: -117.263967
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -412.610859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.610859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.610859 (E_RNA)
where:
Base-Base interactions energy: -281.207
where: short stacking energy: -112.077
Base-Backbone interact. energy: -0.110
local terms energy: -131.294423
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -35.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -371.830867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.830867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.830867 (E_RNA)
where:
Base-Base interactions energy: -264.913
where: short stacking energy: -103.147
Base-Backbone interact. energy: -0.203
local terms energy: -106.714919
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -363.571650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.571650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.571650 (E_RNA)
where:
Base-Base interactions energy: -256.348
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.581
local terms energy: -106.643184
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -332.163325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.163325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.163325 (E_RNA)
where:
Base-Base interactions energy: -219.866
where: short stacking energy: -108.431
Base-Backbone interact. energy: -0.040
local terms energy: -112.257498
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -29.455
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -316.278968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.278968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.278968 (E_RNA)
where:
Base-Base interactions energy: -216.785
where: short stacking energy: -85.245
Base-Backbone interact. energy: -0.438
local terms energy: -99.056302
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -220.430028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430028 (E_RNA)
where:
Base-Base interactions energy: -118.249
where: short stacking energy: -77.696
Base-Backbone interact. energy: -0.493
local terms energy: -101.687906
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -128.151792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.151792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.151792 (E_RNA)
where:
Base-Base interactions energy: -50.755
where: short stacking energy: -44.904
Base-Backbone interact. energy: -0.626
local terms energy: -76.770226
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -193.860979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.860979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.860979 (E_RNA)
where:
Base-Base interactions energy: -129.658
where: short stacking energy: -47.569
Base-Backbone interact. energy: -1.195
local terms energy: -63.007704
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -184.820412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.820412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.820412 (E_RNA)
where:
Base-Base interactions energy: -112.867
where: short stacking energy: -55.484
Base-Backbone interact. energy: -0.203
local terms energy: -71.750429
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -410.669713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.669713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.669713 (E_RNA)
where:
Base-Base interactions energy: -284.251
where: short stacking energy: -115.760
Base-Backbone interact. energy: -0.128
local terms energy: -126.291008
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -36.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -399.657943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.657943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.657943 (E_RNA)
where:
Base-Base interactions energy: -283.694
where: short stacking energy: -107.183
Base-Backbone interact. energy: -0.422
local terms energy: -115.541300
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -29.975
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: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -377.166354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.166354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.166354 (E_RNA)
where:
Base-Base interactions energy: -266.299
where: short stacking energy: -110.293
Base-Backbone interact. energy: -0.209
local terms energy: -110.658819
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -27.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -363.937845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.937845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.937845 (E_RNA)
where:
Base-Base interactions energy: -248.617
where: short stacking energy: -107.777
Base-Backbone interact. energy: -1.130
local terms energy: -114.191033
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -21.796
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: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -333.419043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.419043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.419043 (E_RNA)
where:
Base-Base interactions energy: -226.177
where: short stacking energy: -100.496
Base-Backbone interact. energy: -0.487
local terms energy: -106.755312
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -28.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -324.076896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.076896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.076896 (E_RNA)
where:
Base-Base interactions energy: -205.704
where: short stacking energy: -115.205
Base-Backbone interact. energy: -0.285
local terms energy: -118.088071
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -32.750
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: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -141.231745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.231745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.231745 (E_RNA)
where:
Base-Base interactions energy: -49.336
where: short stacking energy: -43.206
Base-Backbone interact. energy: -0.590
local terms energy: -91.305962
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -188.290409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.290409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.290409 (E_RNA)
where:
Base-Base interactions energy: -102.139
where: short stacking energy: -60.464
Base-Backbone interact. energy: 0.530
local terms energy: -86.680654
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -14.333
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: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -208.181831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.181831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.181831 (E_RNA)
where:
Base-Base interactions energy: -123.639
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.145
local terms energy: -84.398286
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -140.929875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.929875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.929875 (E_RNA)
where:
Base-Base interactions energy: -78.819
where: short stacking energy: -40.795
Base-Backbone interact. energy: -0.786
local terms energy: -61.325033
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -1.216
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: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -412.827691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.827691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.827691 (E_RNA)
where:
Base-Base interactions energy: -293.210
where: short stacking energy: -120.731
Base-Backbone interact. energy: -0.336
local terms energy: -119.282334
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -36.214
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: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -406.021389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.021389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.021389 (E_RNA)
where:
Base-Base interactions energy: -287.557
where: short stacking energy: -113.214
Base-Backbone interact. energy: -0.532
local terms energy: -117.932185
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -29.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -382.507543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.507543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.507543 (E_RNA)
where:
Base-Base interactions energy: -272.987
where: short stacking energy: -110.620
Base-Backbone interact. energy: -0.140
local terms energy: -109.380387
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -30.717
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: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -367.144571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.144571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.144571 (E_RNA)
where:
Base-Base interactions energy: -272.918
where: short stacking energy: -107.723
Base-Backbone interact. energy: -0.697
local terms energy: -93.528963
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -328.062726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.062726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.062726 (E_RNA)
where:
Base-Base interactions energy: -224.453
where: short stacking energy: -95.873
Base-Backbone interact. energy: 1.686
local terms energy: -105.295500
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -328.013236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.013236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.013236 (E_RNA)
where:
Base-Base interactions energy: -222.027
where: short stacking energy: -115.591
Base-Backbone interact. energy: -0.028
local terms energy: -105.958079
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -31.873
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: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -190.086590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.086590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.086590 (E_RNA)
where:
Base-Base interactions energy: -94.886
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.296
local terms energy: -94.904935
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -18.698
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: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -248.313094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.313094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.313094 (E_RNA)
where:
Base-Base interactions energy: -144.916
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.234
local terms energy: -103.162931
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -185.564018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.564018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.564018 (E_RNA)
where:
Base-Base interactions energy: -97.880
where: short stacking energy: -57.625
Base-Backbone interact. energy: 0.370
local terms energy: -88.054324
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -14.497
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: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -113.863593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.863593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.863593 (E_RNA)
where:
Base-Base interactions energy: -49.175
where: short stacking energy: -44.940
Base-Backbone interact. energy: -0.446
local terms energy: -64.242564
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -3.096
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: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -414.208882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.208882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.208882 (E_RNA)
where:
Base-Base interactions energy: -296.402
where: short stacking energy: -126.226
Base-Backbone interact. energy: -0.002
local terms energy: -117.804493
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -393.944331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.944331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.944331 (E_RNA)
where:
Base-Base interactions energy: -277.957
where: short stacking energy: -110.605
Base-Backbone interact. energy: -0.295
local terms energy: -115.692503
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -30.075
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -372.003773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.003773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.003773 (E_RNA)
where:
Base-Base interactions energy: -263.972
where: short stacking energy: -100.853
Base-Backbone interact. energy: -0.779
local terms energy: -107.252676
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -374.799227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.799227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.799227 (E_RNA)
where:
Base-Base interactions energy: -263.990
where: short stacking energy: -105.058
Base-Backbone interact. energy: -0.046
local terms energy: -110.763606
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -30.782
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: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -320.531386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.531386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.531386 (E_RNA)
where:
Base-Base interactions energy: -210.443
where: short stacking energy: -96.453
Base-Backbone interact. energy: -0.239
local terms energy: -109.849134
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -30.270
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: 386
Temperature: 1.150000
Total energy: -321.241919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.241919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.241919 (E_RNA)
where:
Base-Base interactions energy: -215.778
where: short stacking energy: -89.870
Base-Backbone interact. energy: 0.157
local terms energy: -105.620173
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -25.047
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: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -225.841037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.841037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.841037 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -70.716
Base-Backbone interact. energy: -0.857
local terms energy: -93.306124
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -158.811016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.811016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.811016 (E_RNA)
where:
Base-Base interactions energy: -75.069
where: short stacking energy: -45.749
Base-Backbone interact. energy: -0.240
local terms energy: -83.501917
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -25.218
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -7.462
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: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -192.478387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.478387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.478387 (E_RNA)
where:
Base-Base interactions energy: -103.784
where: short stacking energy: -62.038
Base-Backbone interact. energy: -0.278
local terms energy: -88.416574
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -13.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -121.325103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.325103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.325103 (E_RNA)
where:
Base-Base interactions energy: -51.961
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.225
local terms energy: -69.139618
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -4.830
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: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -420.342407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.342407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.342407 (E_RNA)
where:
Base-Base interactions energy: -294.044
where: short stacking energy: -123.133
Base-Backbone interact. energy: 0.056
local terms energy: -126.353915
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -37.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -390.086787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.086787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.086787 (E_RNA)
where:
Base-Base interactions energy: -270.897
where: short stacking energy: -106.003
Base-Backbone interact. energy: -0.584
local terms energy: -118.605194
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -388.514527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.514527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.514527 (E_RNA)
where:
Base-Base interactions energy: -270.891
where: short stacking energy: -110.217
Base-Backbone interact. energy: 0.244
local terms energy: -117.867579
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -357.023740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.023740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.023740 (E_RNA)
where:
Base-Base interactions energy: -242.025
where: short stacking energy: -86.841
Base-Backbone interact. energy: -0.068
local terms energy: -114.930655
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -16.302
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: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -295.178407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.178407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.178407 (E_RNA)
where:
Base-Base interactions energy: -204.485
where: short stacking energy: -91.749
Base-Backbone interact. energy: -0.098
local terms energy: -90.595201
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -332.255492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.255492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.255492 (E_RNA)
where:
Base-Base interactions energy: -233.244
where: short stacking energy: -91.886
Base-Backbone interact. energy: 0.717
local terms energy: -99.728562
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -24.544
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: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -212.295265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295265 (E_RNA)
where:
Base-Base interactions energy: -130.203
where: short stacking energy: -79.781
Base-Backbone interact. energy: -0.245
local terms energy: -81.847427
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -196.893349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.893349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893349 (E_RNA)
where:
Base-Base interactions energy: -112.967
where: short stacking energy: -67.203
Base-Backbone interact. energy: -0.264
local terms energy: -83.662247
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -156.769340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.769340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.769340 (E_RNA)
where:
Base-Base interactions energy: -80.204
where: short stacking energy: -45.916
Base-Backbone interact. energy: -0.321
local terms energy: -76.244344
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -104.786146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.786146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.786146 (E_RNA)
where:
Base-Base interactions energy: -42.665
where: short stacking energy: -25.584
Base-Backbone interact. energy: 0.028
local terms energy: -62.148997
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -9.511
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: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -412.835962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.835962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.835962 (E_RNA)
where:
Base-Base interactions energy: -277.595
where: short stacking energy: -125.954
Base-Backbone interact. energy: -0.003
local terms energy: -135.237958
where:
bonds (distance) C4'-P energy: -26.999
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -37.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -388.979356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.979356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.979356 (E_RNA)
where:
Base-Base interactions energy: -273.927
where: short stacking energy: -107.641
Base-Backbone interact. energy: -0.541
local terms energy: -114.511284
where:
bonds (distance) C4'-P energy: -26.609
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -30.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -399.513914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.513914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.513914 (E_RNA)
where:
Base-Base interactions energy: -288.928
where: short stacking energy: -110.445
Base-Backbone interact. energy: -0.543
local terms energy: -110.043299
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -30.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -356.048807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.048807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.048807 (E_RNA)
where:
Base-Base interactions energy: -259.463
where: short stacking energy: -92.770
Base-Backbone interact. energy: -0.309
local terms energy: -96.276765
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -14.923
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: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -317.960880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.960880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.960880 (E_RNA)
where:
Base-Base interactions energy: -208.775
where: short stacking energy: -86.075
Base-Backbone interact. energy: -0.379
local terms energy: -108.806383
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -25.794
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: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -281.972320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.972320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.972320 (E_RNA)
where:
Base-Base interactions energy: -171.486
where: short stacking energy: -81.268
Base-Backbone interact. energy: -0.863
local terms energy: -109.622967
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -222.678543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.678543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.678543 (E_RNA)
where:
Base-Base interactions energy: -135.952
where: short stacking energy: -66.298
Base-Backbone interact. energy: 0.315
local terms energy: -87.041045
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -9.806
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: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -207.616369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.616369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.616369 (E_RNA)
where:
Base-Base interactions energy: -117.040
where: short stacking energy: -54.415
Base-Backbone interact. energy: -0.914
local terms energy: -89.661769
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -16.166
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: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -113.319493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.319493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.319493 (E_RNA)
where:
Base-Base interactions energy: -41.649
where: short stacking energy: -40.022
Base-Backbone interact. energy: 0.058
local terms energy: -71.728015
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: 4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -150.732832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.732832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.732832 (E_RNA)
where:
Base-Base interactions energy: -75.279
where: short stacking energy: -40.498
Base-Backbone interact. energy: 0.279
local terms energy: -75.732159
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -3.470
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: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -409.576610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.576610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.576610 (E_RNA)
where:
Base-Base interactions energy: -282.680
where: short stacking energy: -112.346
Base-Backbone interact. energy: -0.131
local terms energy: -126.765575
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -33.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -395.436108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.436108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.436108 (E_RNA)
where:
Base-Base interactions energy: -285.322
where: short stacking energy: -103.974
Base-Backbone interact. energy: -0.015
local terms energy: -110.098560
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -389.936205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.936205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.936205 (E_RNA)
where:
Base-Base interactions energy: -284.617
where: short stacking energy: -105.841
Base-Backbone interact. energy: -0.080
local terms energy: -105.239892
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -24.349
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: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -336.767286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.767286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.767286 (E_RNA)
where:
Base-Base interactions energy: -231.345
where: short stacking energy: -93.416
Base-Backbone interact. energy: -0.780
local terms energy: -104.643008
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -339.902029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.902029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.902029 (E_RNA)
where:
Base-Base interactions energy: -230.738
where: short stacking energy: -90.340
Base-Backbone interact. energy: 0.239
local terms energy: -109.403272
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -21.072
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: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -282.125391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.125391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.125391 (E_RNA)
where:
Base-Base interactions energy: -173.484
where: short stacking energy: -98.979
Base-Backbone interact. energy: -0.016
local terms energy: -108.625431
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -16.722
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: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -242.641696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.641696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.641696 (E_RNA)
where:
Base-Base interactions energy: -148.136
where: short stacking energy: -71.098
Base-Backbone interact. energy: -0.422
local terms energy: -94.084299
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -15.728
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: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -200.105711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.105711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.105711 (E_RNA)
where:
Base-Base interactions energy: -116.813
where: short stacking energy: -68.704
Base-Backbone interact. energy: 0.350
local terms energy: -83.643105
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -114.886804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.886804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.886804 (E_RNA)
where:
Base-Base interactions energy: -41.507
where: short stacking energy: -38.017
Base-Backbone interact. energy: 0.491
local terms energy: -73.871321
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -165.177274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.177274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.177274 (E_RNA)
where:
Base-Base interactions energy: -87.179
where: short stacking energy: -47.329
Base-Backbone interact. energy: -0.244
local terms energy: -77.753641
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -12.581
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: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -396.288363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.288363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.288363 (E_RNA)
where:
Base-Base interactions energy: -278.631
where: short stacking energy: -100.731
Base-Backbone interact. energy: -0.292
local terms energy: -117.365219
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -413.982656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.982656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.982656 (E_RNA)
where:
Base-Base interactions energy: -292.030
where: short stacking energy: -112.075
Base-Backbone interact. energy: -0.010
local terms energy: -121.942313
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -38.055
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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -347.574611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.574611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.574611 (E_RNA)
where:
Base-Base interactions energy: -232.856
where: short stacking energy: -102.143
Base-Backbone interact. energy: -0.667
local terms energy: -114.050900
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -26.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -381.941640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.941640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.941640 (E_RNA)
where:
Base-Base interactions energy: -278.256
where: short stacking energy: -101.249
Base-Backbone interact. energy: -0.309
local terms energy: -103.376958
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -338.116935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.116935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.116935 (E_RNA)
where:
Base-Base interactions energy: -231.561
where: short stacking energy: -88.778
Base-Backbone interact. energy: -0.193
local terms energy: -106.362922
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -22.114
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: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -280.684198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.684198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.684198 (E_RNA)
where:
Base-Base interactions energy: -170.492
where: short stacking energy: -87.727
Base-Backbone interact. energy: -0.365
local terms energy: -109.827345
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -31.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -237.904304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.904304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.904304 (E_RNA)
where:
Base-Base interactions energy: -141.109
where: short stacking energy: -63.715
Base-Backbone interact. energy: -0.732
local terms energy: -96.063573
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -15.530
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: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -231.396285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.396285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.396285 (E_RNA)
where:
Base-Base interactions energy: -148.461
where: short stacking energy: -74.606
Base-Backbone interact. energy: -0.652
local terms energy: -82.283296
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -121.573301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.573301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.573301 (E_RNA)
where:
Base-Base interactions energy: -48.153
where: short stacking energy: -46.746
Base-Backbone interact. energy: -0.148
local terms energy: -73.272087
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -7.602
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: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -103.085848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.085848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.085848 (E_RNA)
where:
Base-Base interactions energy: -42.636
where: short stacking energy: -41.014
Base-Backbone interact. energy: 1.438
local terms energy: -61.887437
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: 6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -407.848904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.848904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.848904 (E_RNA)
where:
Base-Base interactions energy: -300.153
where: short stacking energy: -112.245
Base-Backbone interact. energy: -0.513
local terms energy: -107.182592
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -421.514673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.514673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.514673 (E_RNA)
where:
Base-Base interactions energy: -290.570
where: short stacking energy: -113.323
Base-Backbone interact. energy: -0.003
local terms energy: -130.941832
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -37.613
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: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -336.556572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.556572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.556572 (E_RNA)
where:
Base-Base interactions energy: -225.396
where: short stacking energy: -100.143
Base-Backbone interact. energy: -1.642
local terms energy: -109.518646
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -26.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -383.588937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.588937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.588937 (E_RNA)
where:
Base-Base interactions energy: -270.357
where: short stacking energy: -109.217
Base-Backbone interact. energy: -1.269
local terms energy: -111.963240
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -26.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -349.129535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.129535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.129535 (E_RNA)
where:
Base-Base interactions energy: -247.741
where: short stacking energy: -97.825
Base-Backbone interact. energy: -0.787
local terms energy: -100.600907
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -12.925
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: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -279.111284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.111284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.111284 (E_RNA)
where:
Base-Base interactions energy: -178.819
where: short stacking energy: -81.125
Base-Backbone interact. energy: -0.033
local terms energy: -100.259500
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -200.392424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392424 (E_RNA)
where:
Base-Base interactions energy: -123.262
where: short stacking energy: -69.843
Base-Backbone interact. energy: 0.104
local terms energy: -77.234521
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -245.661160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.661160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.661160 (E_RNA)
where:
Base-Base interactions energy: -162.287
where: short stacking energy: -63.767
Base-Backbone interact. energy: 0.470
local terms energy: -83.843746
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -11.989
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: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -130.224770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.224770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.224770 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -42.837
Base-Backbone interact. energy: 0.205
local terms energy: -82.295725
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -118.002924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.002924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.002924 (E_RNA)
where:
Base-Base interactions energy: -46.543
where: short stacking energy: -43.130
Base-Backbone interact. energy: -0.055
local terms energy: -71.405585
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -421.237659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.237659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.237659 (E_RNA)
where:
Base-Base interactions energy: -295.861
where: short stacking energy: -123.366
Base-Backbone interact. energy: -0.002
local terms energy: -125.375070
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -38.089
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: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -400.473207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.473207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.473207 (E_RNA)
where:
Base-Base interactions energy: -277.692
where: short stacking energy: -105.700
Base-Backbone interact. energy: -0.272
local terms energy: -122.509893
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -29.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -396.101761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.101761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.101761 (E_RNA)
where:
Base-Base interactions energy: -291.878
where: short stacking energy: -112.649
Base-Backbone interact. energy: 7.822
local terms energy: -112.046549
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -30.188
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: 392
Temperature: 1.050000
Total energy: -319.471332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.471332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.471332 (E_RNA)
where:
Base-Base interactions energy: -212.115
where: short stacking energy: -92.626
Base-Backbone interact. energy: -0.902
local terms energy: -106.454242
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -22.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -334.129828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.129828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.129828 (E_RNA)
where:
Base-Base interactions energy: -238.787
where: short stacking energy: -86.767
Base-Backbone interact. energy: -0.248
local terms energy: -95.095566
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -266.380833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.380833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.380833 (E_RNA)
where:
Base-Base interactions energy: -165.668
where: short stacking energy: -82.137
Base-Backbone interact. energy: -0.110
local terms energy: -100.602827
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -257.144765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.144765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.144765 (E_RNA)
where:
Base-Base interactions energy: -169.617
where: short stacking energy: -74.560
Base-Backbone interact. energy: 0.569
local terms energy: -88.096884
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -224.420220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.420220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.420220 (E_RNA)
where:
Base-Base interactions energy: -137.606
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.158
local terms energy: -86.655719
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -130.324746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.324746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.324746 (E_RNA)
where:
Base-Base interactions energy: -52.006
where: short stacking energy: -48.047
Base-Backbone interact. energy: -0.045
local terms energy: -78.273508
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -7.615
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: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -114.376181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.376181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.376181 (E_RNA)
where:
Base-Base interactions energy: -40.085
where: short stacking energy: -29.615
Base-Backbone interact. energy: -0.177
local terms energy: -74.114050
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -415.678039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.678039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.678039 (E_RNA)
where:
Base-Base interactions energy: -289.984
where: short stacking energy: -116.929
Base-Backbone interact. energy: -0.196
local terms energy: -125.498201
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -37.578
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: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -400.669886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.669886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.669886 (E_RNA)
where:
Base-Base interactions energy: -288.347
where: short stacking energy: -110.455
Base-Backbone interact. energy: -0.256
local terms energy: -112.067523
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -393.333824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.333824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.333824 (E_RNA)
where:
Base-Base interactions energy: -281.604
where: short stacking energy: -108.613
Base-Backbone interact. energy: -0.091
local terms energy: -111.638884
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -28.761
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: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -334.257245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.257245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.257245 (E_RNA)
where:
Base-Base interactions energy: -232.445
where: short stacking energy: -88.912
Base-Backbone interact. energy: -0.153
local terms energy: -101.659073
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -327.423360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.423360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.423360 (E_RNA)
where:
Base-Base interactions energy: -219.437
where: short stacking energy: -90.343
Base-Backbone interact. energy: -0.043
local terms energy: -107.943532
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -23.447
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: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -280.520856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.520856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.520856 (E_RNA)
where:
Base-Base interactions energy: -179.376
where: short stacking energy: -88.110
Base-Backbone interact. energy: 0.554
local terms energy: -101.698725
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -295.986162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.986162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.986162 (E_RNA)
where:
Base-Base interactions energy: -188.902
where: short stacking energy: -91.857
Base-Backbone interact. energy: -0.053
local terms energy: -107.031239
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -29.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -186.854065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.854065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.854065 (E_RNA)
where:
Base-Base interactions energy: -98.642
where: short stacking energy: -43.331
Base-Backbone interact. energy: -0.199
local terms energy: -88.012875
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -120.470131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.470131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.470131 (E_RNA)
where:
Base-Base interactions energy: -44.447
where: short stacking energy: -43.785
Base-Backbone interact. energy: -0.149
local terms energy: -75.873788
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -118.104675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.104675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.104675 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -40.450
Base-Backbone interact. energy: -0.915
local terms energy: -66.318832
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -413.735416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.735416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.735416 (E_RNA)
where:
Base-Base interactions energy: -285.338
where: short stacking energy: -122.665
Base-Backbone interact. energy: -0.914
local terms energy: -127.483016
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -38.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -381.158548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.158548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.158548 (E_RNA)
where:
Base-Base interactions energy: -257.649
where: short stacking energy: -99.753
Base-Backbone interact. energy: -0.390
local terms energy: -123.119743
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -27.040
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -29.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -363.056492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.056492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.056492 (E_RNA)
where:
Base-Base interactions energy: -259.175
where: short stacking energy: -97.707
Base-Backbone interact. energy: 0.396
local terms energy: -104.277466
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -362.635221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.635221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.635221 (E_RNA)
where:
Base-Base interactions energy: -258.229
where: short stacking energy: -103.976
Base-Backbone interact. energy: 0.924
local terms energy: -105.330312
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -27.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -310.226830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.226830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.226830 (E_RNA)
where:
Base-Base interactions energy: -216.035
where: short stacking energy: -96.563
Base-Backbone interact. energy: -0.319
local terms energy: -93.873094
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -11.818
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: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -279.460434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.460434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.460434 (E_RNA)
where:
Base-Base interactions energy: -179.134
where: short stacking energy: -85.431
Base-Backbone interact. energy: 0.262
local terms energy: -100.588415
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -26.561
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -10.622
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: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -274.031344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.031344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.031344 (E_RNA)
where:
Base-Base interactions energy: -184.541
where: short stacking energy: -86.360
Base-Backbone interact. energy: -0.185
local terms energy: -89.305295
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -180.540046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.540046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.540046 (E_RNA)
where:
Base-Base interactions energy: -99.967
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.367
local terms energy: -80.206081
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -127.820780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.820780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.820780 (E_RNA)
where:
Base-Base interactions energy: -59.115
where: short stacking energy: -43.130
Base-Backbone interact. energy: 1.908
local terms energy: -70.613510
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -1.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -108.530941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.530941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.530941 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -31.339
Base-Backbone interact. energy: -0.870
local terms energy: -71.230815
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -433.980457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.980457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.980457 (E_RNA)
where:
Base-Base interactions energy: -316.177
where: short stacking energy: -125.942
Base-Backbone interact. energy: -0.603
local terms energy: -117.200859
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -38.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -405.033682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.033682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.033682 (E_RNA)
where:
Base-Base interactions energy: -292.477
where: short stacking energy: -114.283
Base-Backbone interact. energy: -0.574
local terms energy: -111.982689
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -28.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -371.458598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.458598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.458598 (E_RNA)
where:
Base-Base interactions energy: -254.136
where: short stacking energy: -101.574
Base-Backbone interact. energy: -1.138
local terms energy: -116.184597
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -26.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -332.559824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.559824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.559824 (E_RNA)
where:
Base-Base interactions energy: -233.508
where: short stacking energy: -90.534
Base-Backbone interact. energy: 0.246
local terms energy: -99.297189
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -21.242
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: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -325.763393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.763393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.763393 (E_RNA)
where:
Base-Base interactions energy: -222.499
where: short stacking energy: -102.993
Base-Backbone interact. energy: 0.588
local terms energy: -103.853231
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -27.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -283.930224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.930224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.930224 (E_RNA)
where:
Base-Base interactions energy: -183.424
where: short stacking energy: -82.135
Base-Backbone interact. energy: -0.155
local terms energy: -100.352120
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -21.667
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: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -254.314216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.314216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.314216 (E_RNA)
where:
Base-Base interactions energy: -157.243
where: short stacking energy: -83.505
Base-Backbone interact. energy: 1.468
local terms energy: -98.540003
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -183.877581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.877581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.877581 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.077
local terms energy: -77.403226
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -7.944
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: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -131.170593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.170593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.170593 (E_RNA)
where:
Base-Base interactions energy: -56.537
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.454
local terms energy: -74.179236
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -9.463
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: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -119.610941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.610941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.610941 (E_RNA)
where:
Base-Base interactions energy: -51.786
where: short stacking energy: -49.846
Base-Backbone interact. energy: 1.329
local terms energy: -69.154388
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -396.305143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.305143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.305143 (E_RNA)
where:
Base-Base interactions energy: -278.249
where: short stacking energy: -104.262
Base-Backbone interact. energy: -0.495
local terms energy: -117.561392
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -414.951909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.951909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.951909 (E_RNA)
where:
Base-Base interactions energy: -287.029
where: short stacking energy: -111.404
Base-Backbone interact. energy: -0.005
local terms energy: -127.917422
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -38.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -357.208528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.208528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.208528 (E_RNA)
where:
Base-Base interactions energy: -249.920
where: short stacking energy: -99.337
Base-Backbone interact. energy: -0.645
local terms energy: -106.643305
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -23.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -357.042088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.042088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.042088 (E_RNA)
where:
Base-Base interactions energy: -248.821
where: short stacking energy: -105.058
Base-Backbone interact. energy: 0.068
local terms energy: -108.288920
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -25.631
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -26.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -303.193301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.193301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.193301 (E_RNA)
where:
Base-Base interactions energy: -195.936
where: short stacking energy: -98.790
Base-Backbone interact. energy: 0.309
local terms energy: -107.566543
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -25.564
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: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -321.387378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.387378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.387378 (E_RNA)
where:
Base-Base interactions energy: -219.125
where: short stacking energy: -91.927
Base-Backbone interact. energy: 0.058
local terms energy: -102.320978
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -243.955389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.955389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.955389 (E_RNA)
where:
Base-Base interactions energy: -151.266
where: short stacking energy: -78.264
Base-Backbone interact. energy: -0.032
local terms energy: -92.657555
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -21.582
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: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -206.922415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.922415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.922415 (E_RNA)
where:
Base-Base interactions energy: -128.658
where: short stacking energy: -64.000
Base-Backbone interact. energy: 0.596
local terms energy: -78.860889
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -150.392981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.392981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.392981 (E_RNA)
where:
Base-Base interactions energy: -54.860
where: short stacking energy: -53.032
Base-Backbone interact. energy: -1.575
local terms energy: -93.958643
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -126.773875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.773875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.773875 (E_RNA)
where:
Base-Base interactions energy: -61.768
where: short stacking energy: -35.355
Base-Backbone interact. energy: -0.904
local terms energy: -64.101651
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -400.411782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.411782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.411782 (E_RNA)
where:
Base-Base interactions energy: -282.360
where: short stacking energy: -111.923
Base-Backbone interact. energy: -0.812
local terms energy: -117.239925
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -28.227
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -32.610
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: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -406.924189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.924189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.924189 (E_RNA)
where:
Base-Base interactions energy: -295.985
where: short stacking energy: -119.466
Base-Backbone interact. energy: -0.258
local terms energy: -110.680246
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -32.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -357.414039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.414039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.414039 (E_RNA)
where:
Base-Base interactions energy: -242.047
where: short stacking energy: -94.601
Base-Backbone interact. energy: -0.187
local terms energy: -115.180106
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -355.564906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.564906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.564906 (E_RNA)
where:
Base-Base interactions energy: -241.132
where: short stacking energy: -100.016
Base-Backbone interact. energy: -0.377
local terms energy: -114.056060
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -23.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -300.999701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.999701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.999701 (E_RNA)
where:
Base-Base interactions energy: -196.757
where: short stacking energy: -90.730
Base-Backbone interact. energy: -0.460
local terms energy: -103.782282
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -307.677235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.677235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.677235 (E_RNA)
where:
Base-Base interactions energy: -220.085
where: short stacking energy: -80.303
Base-Backbone interact. energy: 1.509
local terms energy: -89.101626
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -9.307
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: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -238.280265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.280265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.280265 (E_RNA)
where:
Base-Base interactions energy: -138.685
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.310
local terms energy: -99.284853
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -13.051
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: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -133.080071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.080071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.080071 (E_RNA)
where:
Base-Base interactions energy: -57.901
where: short stacking energy: -47.776
Base-Backbone interact. energy: -0.157
local terms energy: -75.021859
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -203.280697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.280697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.280697 (E_RNA)
where:
Base-Base interactions energy: -113.271
where: short stacking energy: -58.313
Base-Backbone interact. energy: 1.202
local terms energy: -91.211803
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -15.471
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: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -130.279781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.279781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.279781 (E_RNA)
where:
Base-Base interactions energy: -55.959
where: short stacking energy: -42.526
Base-Backbone interact. energy: -0.375
local terms energy: -73.946416
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -415.141363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.141363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.141363 (E_RNA)
where:
Base-Base interactions energy: -290.269
where: short stacking energy: -114.874
Base-Backbone interact. energy: -0.151
local terms energy: -124.720697
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -402.484995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.484995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.484995 (E_RNA)
where:
Base-Base interactions energy: -283.769
where: short stacking energy: -108.697
Base-Backbone interact. energy: -0.483
local terms energy: -118.232991
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -32.528
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: 398
Temperature: 1.000000
Total energy: -362.921743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.921743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.921743 (E_RNA)
where:
Base-Base interactions energy: -254.230
where: short stacking energy: -105.489
Base-Backbone interact. energy: -0.671
local terms energy: -108.020402
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -346.973561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.973561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.973561 (E_RNA)
where:
Base-Base interactions energy: -241.893
where: short stacking energy: -87.338
Base-Backbone interact. energy: -0.297
local terms energy: -104.783811
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -24.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -287.176088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.176088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.176088 (E_RNA)
where:
Base-Base interactions energy: -189.285
where: short stacking energy: -94.978
Base-Backbone interact. energy: -0.766
local terms energy: -97.124486
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -323.831857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.831857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.831857 (E_RNA)
where:
Base-Base interactions energy: -222.168
where: short stacking energy: -101.088
Base-Backbone interact. energy: -0.170
local terms energy: -101.494036
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -27.550
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: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -268.042824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.042824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.042824 (E_RNA)
where:
Base-Base interactions energy: -169.103
where: short stacking energy: -79.493
Base-Backbone interact. energy: -0.105
local terms energy: -98.835228
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -160.229199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.229199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.229199 (E_RNA)
where:
Base-Base interactions energy: -88.973
where: short stacking energy: -35.617
Base-Backbone interact. energy: -1.407
local terms energy: -69.849154
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: 3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -192.936292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936292 (E_RNA)
where:
Base-Base interactions energy: -112.430
where: short stacking energy: -47.133
Base-Backbone interact. energy: 0.411
local terms energy: -80.918167
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -6.168
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: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -125.005976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.005976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.005976 (E_RNA)
where:
Base-Base interactions energy: -56.187
where: short stacking energy: -43.337
Base-Backbone interact. energy: 0.076
local terms energy: -68.894169
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -421.204204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.204204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.204204 (E_RNA)
where:
Base-Base interactions energy: -297.685
where: short stacking energy: -120.029
Base-Backbone interact. energy: -0.489
local terms energy: -123.030322
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -38.832
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: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -392.884534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.884534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.884534 (E_RNA)
where:
Base-Base interactions energy: -279.123
where: short stacking energy: -116.949
Base-Backbone interact. energy: -1.014
local terms energy: -112.747304
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -388.958188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.958188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.958188 (E_RNA)
where:
Base-Base interactions energy: -271.960
where: short stacking energy: -100.466
Base-Backbone interact. energy: -0.455
local terms energy: -116.543574
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -28.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -343.210925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.210925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.210925 (E_RNA)
where:
Base-Base interactions energy: -234.857
where: short stacking energy: -88.215
Base-Backbone interact. energy: -0.287
local terms energy: -108.066307
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -27.127
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: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -281.662162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.662162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.662162 (E_RNA)
where:
Base-Base interactions energy: -182.971
where: short stacking energy: -92.895
Base-Backbone interact. energy: -0.092
local terms energy: -98.599477
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -22.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -313.174369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.174369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.174369 (E_RNA)
where:
Base-Base interactions energy: -204.891
where: short stacking energy: -92.572
Base-Backbone interact. energy: -0.190
local terms energy: -108.093894
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -27.689
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: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -268.180496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.180496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.180496 (E_RNA)
where:
Base-Base interactions energy: -164.945
where: short stacking energy: -77.657
Base-Backbone interact. energy: -0.084
local terms energy: -103.151206
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -23.625
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: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -196.846148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.846148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.846148 (E_RNA)
where:
Base-Base interactions energy: -112.928
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.551
local terms energy: -83.367541
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -176.617613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.617613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.617613 (E_RNA)
where:
Base-Base interactions energy: -96.406
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.185
local terms energy: -80.026592
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -9.665
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: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -121.745708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.745708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.745708 (E_RNA)
where:
Base-Base interactions energy: -53.090
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.253
local terms energy: -68.402771
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -432.578603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.578603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.578603 (E_RNA)
where:
Base-Base interactions energy: -307.423
where: short stacking energy: -128.083
Base-Backbone interact. energy: -0.299
local terms energy: -124.855896
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -38.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -380.912194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.912194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.912194 (E_RNA)
where:
Base-Base interactions energy: -264.317
where: short stacking energy: -116.282
Base-Backbone interact. energy: -0.668
local terms energy: -115.928010
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -25.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -387.816277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.816277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.816277 (E_RNA)
where:
Base-Base interactions energy: -277.199
where: short stacking energy: -106.860
Base-Backbone interact. energy: 1.446
local terms energy: -112.063266
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -27.399
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -353.274309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.274309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.274309 (E_RNA)
where:
Base-Base interactions energy: -250.050
where: short stacking energy: -92.407
Base-Backbone interact. energy: 0.280
local terms energy: -103.504742
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -293.285288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.285288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.285288 (E_RNA)
where:
Base-Base interactions energy: -192.596
where: short stacking energy: -86.493
Base-Backbone interact. energy: -1.321
local terms energy: -99.368379
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -21.672
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: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -290.992072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.992072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.992072 (E_RNA)
where:
Base-Base interactions energy: -173.111
where: short stacking energy: -85.526
Base-Backbone interact. energy: -0.667
local terms energy: -117.214901
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -253.538613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.538613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.538613 (E_RNA)
where:
Base-Base interactions energy: -151.585
where: short stacking energy: -65.147
Base-Backbone interact. energy: 0.343
local terms energy: -102.296176
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -14.831
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: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -200.228554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.228554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.228554 (E_RNA)
where:
Base-Base interactions energy: -116.849
where: short stacking energy: -59.554
Base-Backbone interact. energy: 1.984
local terms energy: -85.364280
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -13.577
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: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -124.303864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.303864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.303864 (E_RNA)
where:
Base-Base interactions energy: -56.640
where: short stacking energy: -43.989
Base-Backbone interact. energy: 0.791
local terms energy: -68.454705
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -128.576148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.576148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.576148 (E_RNA)
where:
Base-Base interactions energy: -51.892
where: short stacking energy: -34.802
Base-Backbone interact. energy: -0.062
local terms energy: -76.622771
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -429.168373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.168373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.168373 (E_RNA)
where:
Base-Base interactions energy: -299.888
where: short stacking energy: -115.330
Base-Backbone interact. energy: -0.255
local terms energy: -129.025520
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -37.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -394.921002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.921002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.921002 (E_RNA)
where:
Base-Base interactions energy: -286.028
where: short stacking energy: -113.972
Base-Backbone interact. energy: -1.032
local terms energy: -107.860677
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -30.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -378.311323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.311323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.311323 (E_RNA)
where:
Base-Base interactions energy: -274.148
where: short stacking energy: -107.211
Base-Backbone interact. energy: -0.276
local terms energy: -103.887434
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -28.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -353.844241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.844241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.844241 (E_RNA)
where:
Base-Base interactions energy: -260.037
where: short stacking energy: -100.009
Base-Backbone interact. energy: -0.336
local terms energy: -93.470718
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -26.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -308.766482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.766482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.766482 (E_RNA)
where:
Base-Base interactions energy: -204.937
where: short stacking energy: -86.834
Base-Backbone interact. energy: -0.080
local terms energy: -103.749498
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -26.890
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: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -286.906529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.906529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.906529 (E_RNA)
where:
Base-Base interactions energy: -187.398
where: short stacking energy: -76.582
Base-Backbone interact. energy: -0.264
local terms energy: -99.244513
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -23.871
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: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -253.582762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.582762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.582762 (E_RNA)
where:
Base-Base interactions energy: -160.383
where: short stacking energy: -79.279
Base-Backbone interact. energy: -0.210
local terms energy: -92.990112
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -18.205
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: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -201.329272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.329272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.329272 (E_RNA)
where:
Base-Base interactions energy: -126.345
where: short stacking energy: -54.694
Base-Backbone interact. energy: 0.467
local terms energy: -75.450508
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -122.689778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.689778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.689778 (E_RNA)
where:
Base-Base interactions energy: -43.753
where: short stacking energy: -37.407
Base-Backbone interact. energy: -0.080
local terms energy: -78.856933
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -120.838615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.838615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.838615 (E_RNA)
where:
Base-Base interactions energy: -46.331
where: short stacking energy: -43.253
Base-Backbone interact. energy: -1.216
local terms energy: -73.291681
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -0.446
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: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -414.860236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.860236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.860236 (E_RNA)
where:
Base-Base interactions energy: -291.542
where: short stacking energy: -116.863
Base-Backbone interact. energy: -0.011
local terms energy: -123.306985
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -27.074
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -37.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -399.278414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.278414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.278414 (E_RNA)
where:
Base-Base interactions energy: -289.416
where: short stacking energy: -109.526
Base-Backbone interact. energy: 1.664
local terms energy: -111.526606
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -27.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -371.043424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.043424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.043424 (E_RNA)
where:
Base-Base interactions energy: -254.629
where: short stacking energy: -105.166
Base-Backbone interact. energy: 1.913
local terms energy: -118.327352
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -383.936302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.936302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.936302 (E_RNA)
where:
Base-Base interactions energy: -271.638
where: short stacking energy: -108.316
Base-Backbone interact. energy: -0.694
local terms energy: -111.604663
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -27.873
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: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -309.083735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.083735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.083735 (E_RNA)
where:
Base-Base interactions energy: -210.665
where: short stacking energy: -97.254
Base-Backbone interact. energy: -0.086
local terms energy: -98.333013
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -291.356243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.356243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.356243 (E_RNA)
where:
Base-Base interactions energy: -192.924
where: short stacking energy: -80.836
Base-Backbone interact. energy: -0.057
local terms energy: -98.375605
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -222.114241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.114241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.114241 (E_RNA)
where:
Base-Base interactions energy: -136.515
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.650
local terms energy: -84.948718
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -10.674
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: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -223.214994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.214994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.214994 (E_RNA)
where:
Base-Base interactions energy: -122.935
where: short stacking energy: -61.000
Base-Backbone interact. energy: 0.030
local terms energy: -100.310649
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -118.452828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.452828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.452828 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -41.648
Base-Backbone interact. energy: 0.106
local terms energy: -74.936138
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -130.292890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.292890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.292890 (E_RNA)
where:
Base-Base interactions energy: -53.182
where: short stacking energy: -42.152
Base-Backbone interact. energy: -0.337
local terms energy: -76.774580
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: 2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -425.170911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.170911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.170911 (E_RNA)
where:
Base-Base interactions energy: -306.078
where: short stacking energy: -126.109
Base-Backbone interact. energy: -0.443
local terms energy: -118.649596
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -35.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -388.890136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.890136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.890136 (E_RNA)
where:
Base-Base interactions energy: -269.395
where: short stacking energy: -104.040
Base-Backbone interact. energy: 0.604
local terms energy: -120.099072
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -28.413
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: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -367.272663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.272663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.272663 (E_RNA)
where:
Base-Base interactions energy: -255.553
where: short stacking energy: -93.744
Base-Backbone interact. energy: -1.710
local terms energy: -110.009090
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -25.770
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: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -332.914292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.914292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.914292 (E_RNA)
where:
Base-Base interactions energy: -223.111
where: short stacking energy: -104.158
Base-Backbone interact. energy: -0.137
local terms energy: -109.666283
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -31.615
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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -361.162235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.162235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.162235 (E_RNA)
where:
Base-Base interactions energy: -247.475
where: short stacking energy: -108.083
Base-Backbone interact. energy: -1.038
local terms energy: -112.648547
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -303.335447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.335447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.335447 (E_RNA)
where:
Base-Base interactions energy: -203.671
where: short stacking energy: -94.068
Base-Backbone interact. energy: -0.135
local terms energy: -99.529467
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -25.733
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: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -212.153652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.153652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.153652 (E_RNA)
where:
Base-Base interactions energy: -128.879
where: short stacking energy: -75.475
Base-Backbone interact. energy: -0.771
local terms energy: -82.503866
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -14.678
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -214.843485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.843485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.843485 (E_RNA)
where:
Base-Base interactions energy: -130.153
where: short stacking energy: -70.647
Base-Backbone interact. energy: 1.766
local terms energy: -86.456654
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -13.325
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: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -118.094509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.094509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.094509 (E_RNA)
where:
Base-Base interactions energy: -52.442
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.179
local terms energy: -65.473589
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -125.865956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.865956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.865956 (E_RNA)
where:
Base-Base interactions energy: -59.448
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.207
local terms energy: -66.211717
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -427.554452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.554452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.554452 (E_RNA)
where:
Base-Base interactions energy: -304.037
where: short stacking energy: -122.967
Base-Backbone interact. energy: -0.059
local terms energy: -123.457931
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -36.497
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: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -388.218033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.218033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.218033 (E_RNA)
where:
Base-Base interactions energy: -276.866
where: short stacking energy: -114.258
Base-Backbone interact. energy: -0.036
local terms energy: -111.316114
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -31.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -387.077375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.077375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.077375 (E_RNA)
where:
Base-Base interactions energy: -272.759
where: short stacking energy: -104.660
Base-Backbone interact. energy: -0.468
local terms energy: -113.849509
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -27.540
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: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -348.415521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.415521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.415521 (E_RNA)
where:
Base-Base interactions energy: -229.397
where: short stacking energy: -104.883
Base-Backbone interact. energy: 0.498
local terms energy: -119.517121
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -32.345
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: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -375.963988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.963988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.963988 (E_RNA)
where:
Base-Base interactions energy: -259.921
where: short stacking energy: -106.741
Base-Backbone interact. energy: 0.117
local terms energy: -116.160378
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -27.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -293.177608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.177608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.177608 (E_RNA)
where:
Base-Base interactions energy: -196.765
where: short stacking energy: -84.281
Base-Backbone interact. energy: -0.649
local terms energy: -95.764072
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -24.154
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: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -223.507161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.507161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.507161 (E_RNA)
where:
Base-Base interactions energy: -134.117
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.291
local terms energy: -89.098655
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -15.870
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: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -211.900688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.900688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.900688 (E_RNA)
where:
Base-Base interactions energy: -120.378
where: short stacking energy: -62.361
Base-Backbone interact. energy: 1.125
local terms energy: -92.647480
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -160.154850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.154850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.154850 (E_RNA)
where:
Base-Base interactions energy: -97.833
where: short stacking energy: -41.266
Base-Backbone interact. energy: 0.521
local terms energy: -62.842022
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -2.159
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -1.013
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: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -121.129283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.129283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.129283 (E_RNA)
where:
Base-Base interactions energy: -58.603
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.761
local terms energy: -61.765031
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: 2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -433.095187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.095187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.095187 (E_RNA)
where:
Base-Base interactions energy: -307.427
where: short stacking energy: -118.692
Base-Backbone interact. energy: -0.391
local terms energy: -125.277563
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -38.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -404.818427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.818427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.818427 (E_RNA)
where:
Base-Base interactions energy: -279.379
where: short stacking energy: -107.958
Base-Backbone interact. energy: -1.318
local terms energy: -124.121459
where:
bonds (distance) C4'-P energy: -23.988
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -34.080
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: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -365.416751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.416751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.416751 (E_RNA)
where:
Base-Base interactions energy: -253.700
where: short stacking energy: -97.701
Base-Backbone interact. energy: -0.768
local terms energy: -110.949110
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -364.640170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.640170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.640170 (E_RNA)
where:
Base-Base interactions energy: -251.681
where: short stacking energy: -104.859
Base-Backbone interact. energy: -0.597
local terms energy: -112.362285
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -331.134717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.134717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.134717 (E_RNA)
where:
Base-Base interactions energy: -223.130
where: short stacking energy: -106.142
Base-Backbone interact. energy: -1.449
local terms energy: -106.555163
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -34.512
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: 405
Temperature: 1.150000
Total energy: -289.775756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.775756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.775756 (E_RNA)
where:
Base-Base interactions energy: -199.970
where: short stacking energy: -85.246
Base-Backbone interact. energy: -0.278
local terms energy: -89.527639
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -246.218030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.218030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.218030 (E_RNA)
where:
Base-Base interactions energy: -152.566
where: short stacking energy: -78.956
Base-Backbone interact. energy: 1.252
local terms energy: -94.904432
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -18.119
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: 405
Temperature: 1.250000
Total energy: -204.452080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452080 (E_RNA)
where:
Base-Base interactions energy: -124.838
where: short stacking energy: -57.876
Base-Backbone interact. energy: 0.082
local terms energy: -79.696634
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -165.485624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.485624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.485624 (E_RNA)
where:
Base-Base interactions energy: -91.565
where: short stacking energy: -56.505
Base-Backbone interact. energy: -0.358
local terms energy: -73.562449
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -119.633556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.633556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.633556 (E_RNA)
where:
Base-Base interactions energy: -45.973
where: short stacking energy: -43.781
Base-Backbone interact. energy: 0.100
local terms energy: -73.760722
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -6.159
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: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -421.516336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.516336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.516336 (E_RNA)
where:
Base-Base interactions energy: -298.510
where: short stacking energy: -122.616
Base-Backbone interact. energy: -0.071
local terms energy: -122.935085
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -36.324
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: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -390.487852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.487852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.487852 (E_RNA)
where:
Base-Base interactions energy: -275.592
where: short stacking energy: -97.736
Base-Backbone interact. energy: -1.054
local terms energy: -113.841157
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -29.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -378.949121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.949121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.949121 (E_RNA)
where:
Base-Base interactions energy: -265.357
where: short stacking energy: -101.613
Base-Backbone interact. energy: -0.416
local terms energy: -113.176773
where:
bonds (distance) C4'-P energy: -24.538
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -359.992874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.992874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.992874 (E_RNA)
where:
Base-Base interactions energy: -249.904
where: short stacking energy: -96.786
Base-Backbone interact. energy: -0.468
local terms energy: -109.620569
where:
bonds (distance) C4'-P energy: -25.978
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -25.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -341.267680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.267680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.267680 (E_RNA)
where:
Base-Base interactions energy: -227.339
where: short stacking energy: -109.823
Base-Backbone interact. energy: -0.090
local terms energy: -113.838446
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -32.032
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: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -280.484610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.484610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.484610 (E_RNA)
where:
Base-Base interactions energy: -177.674
where: short stacking energy: -82.661
Base-Backbone interact. energy: -0.616
local terms energy: -102.193935
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -217.624266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.624266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.624266 (E_RNA)
where:
Base-Base interactions energy: -136.712
where: short stacking energy: -50.062
Base-Backbone interact. energy: 0.555
local terms energy: -81.467603
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -15.266
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: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -203.456242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.456242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.456242 (E_RNA)
where:
Base-Base interactions energy: -122.023
where: short stacking energy: -63.893
Base-Backbone interact. energy: -0.873
local terms energy: -80.560626
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -117.962954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.962954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.962954 (E_RNA)
where:
Base-Base interactions energy: -50.829
where: short stacking energy: -36.031
Base-Backbone interact. energy: -0.321
local terms energy: -66.813666
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -132.741642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.741642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.741642 (E_RNA)
where:
Base-Base interactions energy: -54.754
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.735
local terms energy: -77.252150
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -0.159
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: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -421.239941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.239941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.239941 (E_RNA)
where:
Base-Base interactions energy: -297.491
where: short stacking energy: -123.943
Base-Backbone interact. energy: -0.441
local terms energy: -123.308112
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -40.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -389.199022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.199022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.199022 (E_RNA)
where:
Base-Base interactions energy: -274.496
where: short stacking energy: -109.902
Base-Backbone interact. energy: -0.217
local terms energy: -114.486093
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -27.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -380.232285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.232285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.232285 (E_RNA)
where:
Base-Base interactions energy: -279.743
where: short stacking energy: -108.426
Base-Backbone interact. energy: 0.516
local terms energy: -101.005430
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -350.014033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.014033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.014033 (E_RNA)
where:
Base-Base interactions energy: -235.843
where: short stacking energy: -110.877
Base-Backbone interact. energy: -0.161
local terms energy: -114.010154
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -35.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -359.765719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.765719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.765719 (E_RNA)
where:
Base-Base interactions energy: -252.142
where: short stacking energy: -91.506
Base-Backbone interact. energy: -1.802
local terms energy: -105.821737
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -27.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -236.211159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.211159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.211159 (E_RNA)
where:
Base-Base interactions energy: -139.852
where: short stacking energy: -68.738
Base-Backbone interact. energy: 1.392
local terms energy: -97.750456
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -14.027
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: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -301.373103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.373103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.373103 (E_RNA)
where:
Base-Base interactions energy: -196.384
where: short stacking energy: -79.608
Base-Backbone interact. energy: -0.365
local terms energy: -104.623470
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -9.580
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: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -203.271981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.271981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.271981 (E_RNA)
where:
Base-Base interactions energy: -122.621
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.528
local terms energy: -80.123256
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -12.702
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: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -167.673984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.673984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.673984 (E_RNA)
where:
Base-Base interactions energy: -82.223
where: short stacking energy: -49.679
Base-Backbone interact. energy: -0.710
local terms energy: -84.740139
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -7.828
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -118.441847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.441847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.441847 (E_RNA)
where:
Base-Base interactions energy: -50.109
where: short stacking energy: -41.714
Base-Backbone interact. energy: 0.645
local terms energy: -68.977198
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -431.504442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.504442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.504442 (E_RNA)
where:
Base-Base interactions energy: -302.526
where: short stacking energy: -123.018
Base-Backbone interact. energy: -0.391
local terms energy: -128.587521
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -37.143
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: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -371.833217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.833217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.833217 (E_RNA)
where:
Base-Base interactions energy: -250.890
where: short stacking energy: -99.667
Base-Backbone interact. energy: -0.731
local terms energy: -120.212300
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -24.420
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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -348.931302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.931302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.931302 (E_RNA)
where:
Base-Base interactions energy: -228.043
where: short stacking energy: -112.214
Base-Backbone interact. energy: -0.821
local terms energy: -120.067259
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -31.257
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: 408
Temperature: 1.050000
Total energy: -359.218863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.218863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.218863 (E_RNA)
where:
Base-Base interactions energy: -263.484
where: short stacking energy: -96.893
Base-Backbone interact. energy: 0.253
local terms energy: -95.988614
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -374.143509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.143509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.143509 (E_RNA)
where:
Base-Base interactions energy: -260.850
where: short stacking energy: -95.840
Base-Backbone interact. energy: 0.421
local terms energy: -113.714624
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -24.270
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: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -238.193037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.193037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.193037 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -85.006
Base-Backbone interact. energy: 0.262
local terms energy: -99.997020
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -312.648669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.648669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.648669 (E_RNA)
where:
Base-Base interactions energy: -206.730
where: short stacking energy: -83.932
Base-Backbone interact. energy: -0.415
local terms energy: -105.504081
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -27.302
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: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -195.190268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.190268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.190268 (E_RNA)
where:
Base-Base interactions energy: -121.238
where: short stacking energy: -37.681
Base-Backbone interact. energy: -0.972
local terms energy: -72.980540
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -129.491542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.491542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.491542 (E_RNA)
where:
Base-Base interactions energy: -45.814
where: short stacking energy: -37.134
Base-Backbone interact. energy: -0.257
local terms energy: -83.420497
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -5.333
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: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -176.990942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.990942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.990942 (E_RNA)
where:
Base-Base interactions energy: -110.772
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.515
local terms energy: -65.703407
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -423.644060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.644060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.644060 (E_RNA)
where:
Base-Base interactions energy: -303.015
where: short stacking energy: -124.679
Base-Backbone interact. energy: -0.062
local terms energy: -120.566281
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -38.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -381.964926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.964926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.964926 (E_RNA)
where:
Base-Base interactions energy: -266.248
where: short stacking energy: -105.087
Base-Backbone interact. energy: -0.869
local terms energy: -114.848266
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -26.458
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -24.510
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -341.475231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.475231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.475231 (E_RNA)
where:
Base-Base interactions energy: -228.689
where: short stacking energy: -116.933
Base-Backbone interact. energy: -0.090
local terms energy: -112.695975
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -33.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -354.992621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.992621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.992621 (E_RNA)
where:
Base-Base interactions energy: -259.852
where: short stacking energy: -109.261
Base-Backbone interact. energy: -0.895
local terms energy: -94.245093
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -359.584781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.584781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.584781 (E_RNA)
where:
Base-Base interactions energy: -244.574
where: short stacking energy: -92.295
Base-Backbone interact. energy: -0.661
local terms energy: -114.349857
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -28.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -314.653276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.653276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.653276 (E_RNA)
where:
Base-Base interactions energy: -210.387
where: short stacking energy: -102.778
Base-Backbone interact. energy: 0.152
local terms energy: -104.418380
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -29.957
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: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -245.250399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.250399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.250399 (E_RNA)
where:
Base-Base interactions energy: -165.794
where: short stacking energy: -64.351
Base-Backbone interact. energy: 0.075
local terms energy: -79.531413
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -190.930355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.930355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.930355 (E_RNA)
where:
Base-Base interactions energy: -104.577
where: short stacking energy: -64.169
Base-Backbone interact. energy: -0.262
local terms energy: -86.091579
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -7.941
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: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -143.094537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.094537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.094537 (E_RNA)
where:
Base-Base interactions energy: -71.344
where: short stacking energy: -36.675
Base-Backbone interact. energy: -0.389
local terms energy: -71.361838
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -121.462451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.462451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.462451 (E_RNA)
where:
Base-Base interactions energy: -46.854
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.344
local terms energy: -74.264813
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -418.612091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.612091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.612091 (E_RNA)
where:
Base-Base interactions energy: -300.048
where: short stacking energy: -125.839
Base-Backbone interact. energy: -0.131
local terms energy: -118.433751
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -37.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -382.271652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.271652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.271652 (E_RNA)
where:
Base-Base interactions energy: -263.225
where: short stacking energy: -106.165
Base-Backbone interact. energy: -0.602
local terms energy: -118.444532
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -27.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -375.796965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.796965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.796965 (E_RNA)
where:
Base-Base interactions energy: -269.147
where: short stacking energy: -112.188
Base-Backbone interact. energy: -0.247
local terms energy: -106.402931
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -30.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -338.025116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.025116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.025116 (E_RNA)
where:
Base-Base interactions energy: -230.286
where: short stacking energy: -109.979
Base-Backbone interact. energy: -0.632
local terms energy: -107.106929
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -27.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -355.712722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.712722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.712722 (E_RNA)
where:
Base-Base interactions energy: -248.480
where: short stacking energy: -101.126
Base-Backbone interact. energy: -0.568
local terms energy: -106.665134
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -22.151
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: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -304.397908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.397908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.397908 (E_RNA)
where:
Base-Base interactions energy: -210.820
where: short stacking energy: -87.301
Base-Backbone interact. energy: 2.747
local terms energy: -96.324056
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -18.117
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: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -202.471606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.471606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.471606 (E_RNA)
where:
Base-Base interactions energy: -115.908
where: short stacking energy: -54.964
Base-Backbone interact. energy: -0.035
local terms energy: -86.529019
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -232.352074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.352074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.352074 (E_RNA)
where:
Base-Base interactions energy: -150.137
where: short stacking energy: -73.513
Base-Backbone interact. energy: -0.262
local terms energy: -81.953003
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -126.622773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.622773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.622773 (E_RNA)
where:
Base-Base interactions energy: -48.036
where: short stacking energy: -46.969
Base-Backbone interact. energy: -0.222
local terms energy: -78.364917
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -129.473376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.473376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.473376 (E_RNA)
where:
Base-Base interactions energy: -57.470
where: short stacking energy: -37.292
Base-Backbone interact. energy: -0.691
local terms energy: -71.312467
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -409.179016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.179016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.179016 (E_RNA)
where:
Base-Base interactions energy: -285.369
where: short stacking energy: -116.980
Base-Backbone interact. energy: 0.129
local terms energy: -123.939227
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -32.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -392.774399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.774399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.774399 (E_RNA)
where:
Base-Base interactions energy: -269.944
where: short stacking energy: -109.065
Base-Backbone interact. energy: -0.162
local terms energy: -122.668460
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -29.668
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -375.573624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.573624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.573624 (E_RNA)
where:
Base-Base interactions energy: -274.571
where: short stacking energy: -107.599
Base-Backbone interact. energy: 0.461
local terms energy: -101.464231
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -27.377
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -25.487
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: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -371.613030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.613030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.613030 (E_RNA)
where:
Base-Base interactions energy: -260.187
where: short stacking energy: -104.071
Base-Backbone interact. energy: 0.150
local terms energy: -111.576684
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -27.820
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: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -339.803326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.803326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.803326 (E_RNA)
where:
Base-Base interactions energy: -233.042
where: short stacking energy: -108.763
Base-Backbone interact. energy: -0.021
local terms energy: -106.740657
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -31.806
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: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -304.147159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.147159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.147159 (E_RNA)
where:
Base-Base interactions energy: -198.571
where: short stacking energy: -86.695
Base-Backbone interact. energy: -0.356
local terms energy: -105.220769
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -205.666242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.666242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.666242 (E_RNA)
where:
Base-Base interactions energy: -118.563
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.159
local terms energy: -86.945060
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -8.272
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: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -141.324581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.324581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.324581 (E_RNA)
where:
Base-Base interactions energy: -61.033
where: short stacking energy: -61.033
Base-Backbone interact. energy: 0.049
local terms energy: -80.340125
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -13.275
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: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -249.559176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.559176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.559176 (E_RNA)
where:
Base-Base interactions energy: -170.432
where: short stacking energy: -81.806
Base-Backbone interact. energy: 0.847
local terms energy: -79.973978
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -107.408571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.408571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.408571 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -38.502
Base-Backbone interact. energy: -0.119
local terms energy: -68.288310
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -7.928
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: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -398.994441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.994441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.994441 (E_RNA)
where:
Base-Base interactions energy: -276.583
where: short stacking energy: -112.549
Base-Backbone interact. energy: 0.616
local terms energy: -123.027138
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -25.549
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -26.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -402.246330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.246330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.246330 (E_RNA)
where:
Base-Base interactions energy: -279.250
where: short stacking energy: -113.580
Base-Backbone interact. energy: -0.433
local terms energy: -122.562968
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -25.828
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -34.342
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: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -366.715151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.715151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.715151 (E_RNA)
where:
Base-Base interactions energy: -261.776
where: short stacking energy: -99.446
Base-Backbone interact. energy: -0.807
local terms energy: -104.132577
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -24.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -366.136051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.136051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.136051 (E_RNA)
where:
Base-Base interactions energy: -263.182
where: short stacking energy: -98.296
Base-Backbone interact. energy: -0.971
local terms energy: -101.982634
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -341.795194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.795194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.795194 (E_RNA)
where:
Base-Base interactions energy: -220.104
where: short stacking energy: -108.981
Base-Backbone interact. energy: -0.077
local terms energy: -121.614482
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -31.799
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: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -320.194109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.194109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.194109 (E_RNA)
where:
Base-Base interactions energy: -214.980
where: short stacking energy: -85.424
Base-Backbone interact. energy: -1.458
local terms energy: -103.755955
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -28.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -206.360877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.360877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.360877 (E_RNA)
where:
Base-Base interactions energy: -114.511
where: short stacking energy: -73.190
Base-Backbone interact. energy: -0.199
local terms energy: -91.651221
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -125.735469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.735469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.735469 (E_RNA)
where:
Base-Base interactions energy: -49.878
where: short stacking energy: -47.644
Base-Backbone interact. energy: -0.361
local terms energy: -75.496212
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -4.850
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: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -215.339433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.339433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.339433 (E_RNA)
where:
Base-Base interactions energy: -123.563
where: short stacking energy: -66.055
Base-Backbone interact. energy: 2.159
local terms energy: -93.935436
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -14.908
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: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -137.606005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.606005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.606005 (E_RNA)
where:
Base-Base interactions energy: -70.839
where: short stacking energy: -50.263
Base-Backbone interact. energy: 1.896
local terms energy: -68.663007
where:
bonds (distance) C4'-P energy: -8.106
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -17.298
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: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -397.313752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.313752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.313752 (E_RNA)
where:
Base-Base interactions energy: -279.964
where: short stacking energy: -109.202
Base-Backbone interact. energy: -0.544
local terms energy: -116.806427
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -28.854
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: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -365.037262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.037262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.037262 (E_RNA)
where:
Base-Base interactions energy: -264.121
where: short stacking energy: -104.622
Base-Backbone interact. energy: -0.389
local terms energy: -100.526616
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -404.925477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.925477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.925477 (E_RNA)
where:
Base-Base interactions energy: -288.520
where: short stacking energy: -112.418
Base-Backbone interact. energy: -0.033
local terms energy: -116.372316
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -33.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -333.108330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.108330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.108330 (E_RNA)
where:
Base-Base interactions energy: -223.811
where: short stacking energy: -100.021
Base-Backbone interact. energy: -0.277
local terms energy: -109.020380
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -32.538
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: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -357.210268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.210268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.210268 (E_RNA)
where:
Base-Base interactions energy: -253.183
where: short stacking energy: -100.636
Base-Backbone interact. energy: -1.020
local terms energy: -103.006811
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -16.477
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: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -302.345004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.345004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.345004 (E_RNA)
where:
Base-Base interactions energy: -199.536
where: short stacking energy: -91.794
Base-Backbone interact. energy: -0.289
local terms energy: -102.520345
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -23.741
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: 413
Temperature: 1.200000
Total energy: -215.677310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.677310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.677310 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.607
local terms energy: -74.055355
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -211.833134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.833134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.833134 (E_RNA)
where:
Base-Base interactions energy: -124.332
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.127
local terms energy: -87.375047
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -115.627771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.627771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.627771 (E_RNA)
where:
Base-Base interactions energy: -47.142
where: short stacking energy: -33.014
Base-Backbone interact. energy: -0.556
local terms energy: -67.929629
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -9.251
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: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -114.888910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.888910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.888910 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -32.589
Base-Backbone interact. energy: 1.414
local terms energy: -79.600597
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -396.627632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.627632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.627632 (E_RNA)
where:
Base-Base interactions energy: -276.055
where: short stacking energy: -105.368
Base-Backbone interact. energy: -0.590
local terms energy: -119.982357
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -367.010606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.010606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.010606 (E_RNA)
where:
Base-Base interactions energy: -258.423
where: short stacking energy: -99.637
Base-Backbone interact. energy: -1.206
local terms energy: -107.381450
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -20.165
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: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -401.614303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.614303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.614303 (E_RNA)
where:
Base-Base interactions energy: -288.886
where: short stacking energy: -114.228
Base-Backbone interact. energy: -0.385
local terms energy: -112.342601
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -30.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -335.991571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.991571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.991571 (E_RNA)
where:
Base-Base interactions energy: -231.727
where: short stacking energy: -107.189
Base-Backbone interact. energy: -0.724
local terms energy: -103.540041
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -32.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -366.223548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.223548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.223548 (E_RNA)
where:
Base-Base interactions energy: -258.712
where: short stacking energy: -97.156
Base-Backbone interact. energy: -0.606
local terms energy: -106.905000
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -306.420656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.420656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.420656 (E_RNA)
where:
Base-Base interactions energy: -208.422
where: short stacking energy: -86.766
Base-Backbone interact. energy: 2.387
local terms energy: -100.385836
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -228.855632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.855632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.855632 (E_RNA)
where:
Base-Base interactions energy: -131.127
where: short stacking energy: -79.527
Base-Backbone interact. energy: 0.359
local terms energy: -98.087592
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -17.563
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: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -247.104711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.104711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.104711 (E_RNA)
where:
Base-Base interactions energy: -149.279
where: short stacking energy: -69.772
Base-Backbone interact. energy: 1.770
local terms energy: -99.595960
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -120.300045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.300045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.300045 (E_RNA)
where:
Base-Base interactions energy: -47.489
where: short stacking energy: -33.063
Base-Backbone interact. energy: -0.310
local terms energy: -72.500993
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -1.049
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: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -143.305936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.305936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.305936 (E_RNA)
where:
Base-Base interactions energy: -77.740
where: short stacking energy: -44.636
Base-Backbone interact. energy: -0.978
local terms energy: -64.588504
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -388.729123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.729123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.729123 (E_RNA)
where:
Base-Base interactions energy: -279.333
where: short stacking energy: -100.298
Base-Backbone interact. energy: 1.197
local terms energy: -110.592993
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -402.911865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.911865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.911865 (E_RNA)
where:
Base-Base interactions energy: -287.074
where: short stacking energy: -117.820
Base-Backbone interact. energy: -0.040
local terms energy: -115.798654
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -31.337
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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -356.267438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.267438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.267438 (E_RNA)
where:
Base-Base interactions energy: -248.056
where: short stacking energy: -101.832
Base-Backbone interact. energy: -0.298
local terms energy: -107.913576
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -18.703
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: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -377.320883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.320883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.320883 (E_RNA)
where:
Base-Base interactions energy: -264.893
where: short stacking energy: -100.334
Base-Backbone interact. energy: -0.509
local terms energy: -111.919628
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -324.645280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.645280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.645280 (E_RNA)
where:
Base-Base interactions energy: -214.453
where: short stacking energy: -96.956
Base-Backbone interact. energy: -0.524
local terms energy: -109.667833
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -30.681
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: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -295.720296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.720296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.720296 (E_RNA)
where:
Base-Base interactions energy: -197.827
where: short stacking energy: -94.843
Base-Backbone interact. energy: -0.483
local terms energy: -97.410592
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -23.936
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: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -262.505331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.505331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.505331 (E_RNA)
where:
Base-Base interactions energy: -156.568
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.300
local terms energy: -105.637840
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -230.479543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.479543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.479543 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.677
local terms energy: -86.253163
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -132.190672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.190672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.190672 (E_RNA)
where:
Base-Base interactions energy: -46.823
where: short stacking energy: -39.377
Base-Backbone interact. energy: -0.079
local terms energy: -85.288138
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -117.935089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.935089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.935089 (E_RNA)
where:
Base-Base interactions energy: -55.679
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.756
local terms energy: -61.500207
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -408.705789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.705789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.705789 (E_RNA)
where:
Base-Base interactions energy: -294.896
where: short stacking energy: -113.838
Base-Backbone interact. energy: -0.172
local terms energy: -113.637975
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -35.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -402.136033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.136033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.136033 (E_RNA)
where:
Base-Base interactions energy: -282.868
where: short stacking energy: -106.326
Base-Backbone interact. energy: 0.990
local terms energy: -120.258796
where:
bonds (distance) C4'-P energy: -25.604
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -31.839
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: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -376.235263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.235263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.235263 (E_RNA)
where:
Base-Base interactions energy: -263.846
where: short stacking energy: -101.717
Base-Backbone interact. energy: -0.202
local terms energy: -112.187466
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -27.842
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: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -347.138609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.138609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.138609 (E_RNA)
where:
Base-Base interactions energy: -245.444
where: short stacking energy: -97.945
Base-Backbone interact. energy: -0.229
local terms energy: -101.466238
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -21.874
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: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -305.048168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.048168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.048168 (E_RNA)
where:
Base-Base interactions energy: -196.612
where: short stacking energy: -101.715
Base-Backbone interact. energy: -0.057
local terms energy: -108.379678
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -28.207
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: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -298.424609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.424609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.424609 (E_RNA)
where:
Base-Base interactions energy: -191.846
where: short stacking energy: -84.179
Base-Backbone interact. energy: -0.289
local terms energy: -106.289571
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -21.761
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: 416
Temperature: 1.200000
Total energy: -214.012765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.012765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.012765 (E_RNA)
where:
Base-Base interactions energy: -126.599
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.843
local terms energy: -86.571175
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -14.627
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: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -227.374764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.374764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.374764 (E_RNA)
where:
Base-Base interactions energy: -136.759
where: short stacking energy: -65.690
Base-Backbone interact. energy: -0.530
local terms energy: -90.085781
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -12.848
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: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -134.906295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.906295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.906295 (E_RNA)
where:
Base-Base interactions energy: -58.721
where: short stacking energy: -32.829
Base-Backbone interact. energy: -1.712
local terms energy: -74.473181
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: 5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -113.136431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.136431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.136431 (E_RNA)
where:
Base-Base interactions energy: -48.036
where: short stacking energy: -37.637
Base-Backbone interact. energy: -0.318
local terms energy: -64.782142
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -395.640398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.640398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.640398 (E_RNA)
where:
Base-Base interactions energy: -272.517
where: short stacking energy: -112.164
Base-Backbone interact. energy: -0.106
local terms energy: -123.017342
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -33.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -387.953306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.953306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.953306 (E_RNA)
where:
Base-Base interactions energy: -278.449
where: short stacking energy: -100.502
Base-Backbone interact. energy: -0.624
local terms energy: -108.879899
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -368.083518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.083518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.083518 (E_RNA)
where:
Base-Base interactions energy: -260.642
where: short stacking energy: -110.218
Base-Backbone interact. energy: -0.386
local terms energy: -107.055457
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -26.492
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -354.402168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.402168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.402168 (E_RNA)
where:
Base-Base interactions energy: -255.319
where: short stacking energy: -99.175
Base-Backbone interact. energy: -0.626
local terms energy: -98.457747
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -23.465
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: 417
Temperature: 1.100000
Total energy: -300.485799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.485799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.485799 (E_RNA)
where:
Base-Base interactions energy: -194.629
where: short stacking energy: -94.747
Base-Backbone interact. energy: 2.616
local terms energy: -108.473349
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -28.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -283.683694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.683694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.683694 (E_RNA)
where:
Base-Base interactions energy: -189.417
where: short stacking energy: -81.410
Base-Backbone interact. energy: 0.650
local terms energy: -94.916507
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -248.496683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.496683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.496683 (E_RNA)
where:
Base-Base interactions energy: -156.882
where: short stacking energy: -77.233
Base-Backbone interact. energy: -1.202
local terms energy: -90.413022
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -12.175
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: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -223.390619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.390619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.390619 (E_RNA)
where:
Base-Base interactions energy: -141.777
where: short stacking energy: -61.895
Base-Backbone interact. energy: -1.202
local terms energy: -80.411694
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -122.238324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.238324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.238324 (E_RNA)
where:
Base-Base interactions energy: -54.194
where: short stacking energy: -50.248
Base-Backbone interact. energy: 0.154
local terms energy: -68.197447
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -5.202
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: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -108.890539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.890539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.890539 (E_RNA)
where:
Base-Base interactions energy: -51.519
where: short stacking energy: -34.466
Base-Backbone interact. energy: 0.017
local terms energy: -57.388863
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: 6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -402.544962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.544962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.544962 (E_RNA)
where:
Base-Base interactions energy: -287.050
where: short stacking energy: -104.866
Base-Backbone interact. energy: -0.005
local terms energy: -115.490162
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -34.316
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: 418
Temperature: 0.950000
Total energy: -383.609691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.609691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.609691 (E_RNA)
where:
Base-Base interactions energy: -269.130
where: short stacking energy: -98.843
Base-Backbone interact. energy: -0.378
local terms energy: -114.101351
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -26.306
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: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -370.473298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.473298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.473298 (E_RNA)
where:
Base-Base interactions energy: -261.794
where: short stacking energy: -108.770
Base-Backbone interact. energy: -0.986
local terms energy: -107.692906
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -374.937510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.937510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.937510 (E_RNA)
where:
Base-Base interactions energy: -259.402
where: short stacking energy: -96.846
Base-Backbone interact. energy: -1.257
local terms energy: -114.278439
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -26.502
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: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -305.350700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.350700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.350700 (E_RNA)
where:
Base-Base interactions energy: -191.793
where: short stacking energy: -84.945
Base-Backbone interact. energy: -0.334
local terms energy: -113.223175
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -248.777834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.777834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.777834 (E_RNA)
where:
Base-Base interactions energy: -164.732
where: short stacking energy: -76.491
Base-Backbone interact. energy: -0.882
local terms energy: -83.164350
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -255.733626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.733626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.733626 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -73.149
Base-Backbone interact. energy: -0.069
local terms energy: -101.557159
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -13.609
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: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -225.086579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.086579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.086579 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -65.532
Base-Backbone interact. energy: -0.122
local terms energy: -93.014872
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -124.722744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.722744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.722744 (E_RNA)
where:
Base-Base interactions energy: -51.246
where: short stacking energy: -39.190
Base-Backbone interact. energy: 0.004
local terms energy: -73.480626
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -114.372483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.372483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.372483 (E_RNA)
where:
Base-Base interactions energy: -39.450
where: short stacking energy: -35.146
Base-Backbone interact. energy: -1.150
local terms energy: -73.772422
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -9.124
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: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -401.293542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.293542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.293542 (E_RNA)
where:
Base-Base interactions energy: -280.925
where: short stacking energy: -111.117
Base-Backbone interact. energy: 0.868
local terms energy: -121.236762
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -383.341104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.341104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.341104 (E_RNA)
where:
Base-Base interactions energy: -270.326
where: short stacking energy: -106.401
Base-Backbone interact. energy: -0.297
local terms energy: -112.717537
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -380.061620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.061620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.061620 (E_RNA)
where:
Base-Base interactions energy: -272.297
where: short stacking energy: -100.161
Base-Backbone interact. energy: 1.604
local terms energy: -109.369428
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -27.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -371.229483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.229483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.229483 (E_RNA)
where:
Base-Base interactions energy: -256.611
where: short stacking energy: -105.636
Base-Backbone interact. energy: 2.977
local terms energy: -117.594690
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -30.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -299.282624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.282624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.282624 (E_RNA)
where:
Base-Base interactions energy: -196.931
where: short stacking energy: -83.368
Base-Backbone interact. energy: 0.449
local terms energy: -102.800597
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -24.220
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -209.686170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.686170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.686170 (E_RNA)
where:
Base-Base interactions energy: -115.249
where: short stacking energy: -69.107
Base-Backbone interact. energy: 0.504
local terms energy: -94.941262
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -233.101492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.101492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101492 (E_RNA)
where:
Base-Base interactions energy: -144.897
where: short stacking energy: -69.762
Base-Backbone interact. energy: 0.110
local terms energy: -88.315086
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -272.518230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.518230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.518230 (E_RNA)
where:
Base-Base interactions energy: -175.348
where: short stacking energy: -89.191
Base-Backbone interact. energy: 0.360
local terms energy: -97.529849
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -170.838320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.838320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.838320 (E_RNA)
where:
Base-Base interactions energy: -86.300
where: short stacking energy: -48.470
Base-Backbone interact. energy: -0.344
local terms energy: -84.193696
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -121.569270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.569270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.569270 (E_RNA)
where:
Base-Base interactions energy: -52.797
where: short stacking energy: -38.189
Base-Backbone interact. energy: 1.548
local terms energy: -70.319609
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -402.006012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.006012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.006012 (E_RNA)
where:
Base-Base interactions energy: -290.420
where: short stacking energy: -112.819
Base-Backbone interact. energy: -0.015
local terms energy: -111.571403
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -33.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -389.886575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.886575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.886575 (E_RNA)
where:
Base-Base interactions energy: -286.005
where: short stacking energy: -110.420
Base-Backbone interact. energy: -0.253
local terms energy: -103.628851
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -26.308
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: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -373.903885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.903885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.903885 (E_RNA)
where:
Base-Base interactions energy: -266.579
where: short stacking energy: -108.120
Base-Backbone interact. energy: 0.163
local terms energy: -107.487802
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -379.762554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.762554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.762554 (E_RNA)
where:
Base-Base interactions energy: -270.675
where: short stacking energy: -94.634
Base-Backbone interact. energy: -0.494
local terms energy: -108.593776
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -25.406
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: 420
Temperature: 1.100000
Total energy: -306.705347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.705347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.705347 (E_RNA)
where:
Base-Base interactions energy: -205.833
where: short stacking energy: -84.640
Base-Backbone interact. energy: -0.663
local terms energy: -100.210285
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -20.234
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: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -219.588530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.588530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.588530 (E_RNA)
where:
Base-Base interactions energy: -125.805
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.143
local terms energy: -93.640784
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -241.233719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.233719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.233719 (E_RNA)
where:
Base-Base interactions energy: -147.237
where: short stacking energy: -85.698
Base-Backbone interact. energy: -0.902
local terms energy: -93.094227
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -243.511024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.511024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.511024 (E_RNA)
where:
Base-Base interactions energy: -158.734
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.491
local terms energy: -84.285476
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -130.774430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.774430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.774430 (E_RNA)
where:
Base-Base interactions energy: -53.795
where: short stacking energy: -38.677
Base-Backbone interact. energy: -1.704
local terms energy: -75.275403
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -182.720326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.720326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.720326 (E_RNA)
where:
Base-Base interactions energy: -101.005
where: short stacking energy: -63.055
Base-Backbone interact. energy: -1.079
local terms energy: -80.636197
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -405.882392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.882392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.882392 (E_RNA)
where:
Base-Base interactions energy: -281.378
where: short stacking energy: -107.594
Base-Backbone interact. energy: -0.061
local terms energy: -124.443765
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -32.074
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -381.927257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.927257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.927257 (E_RNA)
where:
Base-Base interactions energy: -268.713
where: short stacking energy: -117.129
Base-Backbone interact. energy: -0.220
local terms energy: -112.994751
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -31.037
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: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -371.364608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.364608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.364608 (E_RNA)
where:
Base-Base interactions energy: -261.251
where: short stacking energy: -96.936
Base-Backbone interact. energy: -0.774
local terms energy: -109.339419
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -22.769
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: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -311.691317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.691317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.691317 (E_RNA)
where:
Base-Base interactions energy: -216.682
where: short stacking energy: -92.128
Base-Backbone interact. energy: 0.131
local terms energy: -95.140203
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -360.512093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.512093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.512093 (E_RNA)
where:
Base-Base interactions energy: -255.858
where: short stacking energy: -94.497
Base-Backbone interact. energy: 0.057
local terms energy: -104.711349
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -229.174033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.174033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.174033 (E_RNA)
where:
Base-Base interactions energy: -136.658
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.197
local terms energy: -92.318999
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -18.442
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: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -250.648303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.648303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.648303 (E_RNA)
where:
Base-Base interactions energy: -156.571
where: short stacking energy: -68.786
Base-Backbone interact. energy: -1.138
local terms energy: -92.939071
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -276.065289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.065289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.065289 (E_RNA)
where:
Base-Base interactions energy: -184.111
where: short stacking energy: -83.507
Base-Backbone interact. energy: 0.006
local terms energy: -91.960451
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -120.497083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.497083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.497083 (E_RNA)
where:
Base-Base interactions energy: -63.505
where: short stacking energy: -51.992
Base-Backbone interact. energy: 1.637
local terms energy: -58.628970
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -158.599587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.599587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.599587 (E_RNA)
where:
Base-Base interactions energy: -79.971
where: short stacking energy: -48.120
Base-Backbone interact. energy: -0.507
local terms energy: -78.121503
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -4.916
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: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -405.065271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.065271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.065271 (E_RNA)
where:
Base-Base interactions energy: -296.038
where: short stacking energy: -111.152
Base-Backbone interact. energy: -0.194
local terms energy: -108.832989
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -33.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -380.895709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.895709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.895709 (E_RNA)
where:
Base-Base interactions energy: -278.899
where: short stacking energy: -108.865
Base-Backbone interact. energy: 4.180
local terms energy: -106.177073
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -27.119
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: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -374.776848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.776848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.776848 (E_RNA)
where:
Base-Base interactions energy: -264.642
where: short stacking energy: -101.971
Base-Backbone interact. energy: -0.925
local terms energy: -109.210108
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -318.895718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.895718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.895718 (E_RNA)
where:
Base-Base interactions energy: -219.045
where: short stacking energy: -88.594
Base-Backbone interact. energy: -0.226
local terms energy: -99.624651
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -367.968336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.968336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.968336 (E_RNA)
where:
Base-Base interactions energy: -261.513
where: short stacking energy: -107.736
Base-Backbone interact. energy: -0.680
local terms energy: -105.775505
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -205.896495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.896495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.896495 (E_RNA)
where:
Base-Base interactions energy: -120.639
where: short stacking energy: -54.476
Base-Backbone interact. energy: -0.182
local terms energy: -85.076222
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -5.983
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: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -277.229763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.229763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.229763 (E_RNA)
where:
Base-Base interactions energy: -188.920
where: short stacking energy: -78.598
Base-Backbone interact. energy: -0.199
local terms energy: -88.110620
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -11.406
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: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -240.409004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.409004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.409004 (E_RNA)
where:
Base-Base interactions energy: -144.487
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.352
local terms energy: -95.569869
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -21.169
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: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -131.566847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.566847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.566847 (E_RNA)
where:
Base-Base interactions energy: -47.101
where: short stacking energy: -47.101
Base-Backbone interact. energy: -0.255
local terms energy: -84.210735
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -9.955
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: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -107.524279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.524279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.524279 (E_RNA)
where:
Base-Base interactions energy: -45.795
where: short stacking energy: -25.640
Base-Backbone interact. energy: -0.546
local terms energy: -61.183217
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -0.134
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: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -408.764941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.764941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.764941 (E_RNA)
where:
Base-Base interactions energy: -287.570
where: short stacking energy: -111.761
Base-Backbone interact. energy: -0.303
local terms energy: -120.891180
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -29.555
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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -404.838834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.838834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.838834 (E_RNA)
where:
Base-Base interactions energy: -293.425
where: short stacking energy: -116.542
Base-Backbone interact. energy: 0.526
local terms energy: -111.940077
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -28.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -376.007615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.007615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.007615 (E_RNA)
where:
Base-Base interactions energy: -260.923
where: short stacking energy: -98.574
Base-Backbone interact. energy: -1.000
local terms energy: -114.084033
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -24.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -364.460103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.460103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.460103 (E_RNA)
where:
Base-Base interactions energy: -251.047
where: short stacking energy: -97.666
Base-Backbone interact. energy: -0.622
local terms energy: -112.791118
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -303.507415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.507415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.507415 (E_RNA)
where:
Base-Base interactions energy: -200.212
where: short stacking energy: -87.898
Base-Backbone interact. energy: -0.647
local terms energy: -102.648840
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -23.559
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: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -273.786773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.786773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.786773 (E_RNA)
where:
Base-Base interactions energy: -184.510
where: short stacking energy: -82.560
Base-Backbone interact. energy: -1.384
local terms energy: -87.892969
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -213.015696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.015696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.015696 (E_RNA)
where:
Base-Base interactions energy: -111.527
where: short stacking energy: -75.143
Base-Backbone interact. energy: -0.505
local terms energy: -100.983601
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -22.143
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -237.301506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.301506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.301506 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -74.342
Base-Backbone interact. energy: -1.436
local terms energy: -100.031397
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -136.043027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.043027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.043027 (E_RNA)
where:
Base-Base interactions energy: -46.330
where: short stacking energy: -35.830
Base-Backbone interact. energy: -0.067
local terms energy: -89.645479
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -7.379
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: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -112.671571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.671571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.671571 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -34.248
Base-Backbone interact. energy: 3.649
local terms energy: -67.653730
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -17.765
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: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -403.585947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.585947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.585947 (E_RNA)
where:
Base-Base interactions energy: -281.421
where: short stacking energy: -103.610
Base-Backbone interact. energy: 1.448
local terms energy: -123.612841
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -30.327
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: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -397.775133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.775133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.775133 (E_RNA)
where:
Base-Base interactions energy: -272.334
where: short stacking energy: -99.384
Base-Backbone interact. energy: -0.442
local terms energy: -124.999283
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -376.956883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.956883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.956883 (E_RNA)
where:
Base-Base interactions energy: -267.379
where: short stacking energy: -103.622
Base-Backbone interact. energy: -0.501
local terms energy: -109.077279
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -29.076
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: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -372.229222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.229222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.229222 (E_RNA)
where:
Base-Base interactions energy: -272.231
where: short stacking energy: -101.155
Base-Backbone interact. energy: -0.282
local terms energy: -99.716480
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -322.585566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.585566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.585566 (E_RNA)
where:
Base-Base interactions energy: -219.951
where: short stacking energy: -95.303
Base-Backbone interact. energy: -0.875
local terms energy: -101.760274
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -277.076792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.076792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.076792 (E_RNA)
where:
Base-Base interactions energy: -186.455
where: short stacking energy: -78.560
Base-Backbone interact. energy: -0.794
local terms energy: -89.827946
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -252.974082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.974082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.974082 (E_RNA)
where:
Base-Base interactions energy: -156.143
where: short stacking energy: -71.257
Base-Backbone interact. energy: -0.644
local terms energy: -96.186955
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -200.475226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.475226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.475226 (E_RNA)
where:
Base-Base interactions energy: -115.419
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.231
local terms energy: -84.825044
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -124.608836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.608836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.608836 (E_RNA)
where:
Base-Base interactions energy: -62.412
where: short stacking energy: -41.698
Base-Backbone interact. energy: 0.511
local terms energy: -62.707910
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: 1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -100.586313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.586313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.586313 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -28.229
Base-Backbone interact. energy: 4.654
local terms energy: -65.057801
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: 3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -399.286875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.286875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.286875 (E_RNA)
where:
Base-Base interactions energy: -277.825
where: short stacking energy: -114.916
Base-Backbone interact. energy: -0.272
local terms energy: -121.189675
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -31.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -387.655264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.655264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.655264 (E_RNA)
where:
Base-Base interactions energy: -274.755
where: short stacking energy: -95.426
Base-Backbone interact. energy: 2.030
local terms energy: -114.930269
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -27.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -398.276846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.276846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.276846 (E_RNA)
where:
Base-Base interactions energy: -292.257
where: short stacking energy: -118.274
Base-Backbone interact. energy: -0.335
local terms energy: -105.684990
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -36.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -368.281682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.281682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.281682 (E_RNA)
where:
Base-Base interactions energy: -259.210
where: short stacking energy: -101.598
Base-Backbone interact. energy: -0.491
local terms energy: -108.579986
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -25.524
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: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -311.787894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.787894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.787894 (E_RNA)
where:
Base-Base interactions energy: -206.071
where: short stacking energy: -88.554
Base-Backbone interact. energy: -0.856
local terms energy: -104.860253
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -25.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -293.890082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.890082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.890082 (E_RNA)
where:
Base-Base interactions energy: -205.495
where: short stacking energy: -79.887
Base-Backbone interact. energy: -0.403
local terms energy: -87.992309
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -225.637239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.637239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.637239 (E_RNA)
where:
Base-Base interactions energy: -136.663
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.366
local terms energy: -88.608449
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -21.488
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: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -133.724226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.724226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.724226 (E_RNA)
where:
Base-Base interactions energy: -52.059
where: short stacking energy: -44.920
Base-Backbone interact. energy: -0.577
local terms energy: -81.088751
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -178.616004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.616004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.616004 (E_RNA)
where:
Base-Base interactions energy: -105.042
where: short stacking energy: -56.036
Base-Backbone interact. energy: 0.544
local terms energy: -74.117709
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -109.447756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.447756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.447756 (E_RNA)
where:
Base-Base interactions energy: -40.222
where: short stacking energy: -24.166
Base-Backbone interact. energy: -0.003
local terms energy: -69.222882
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: 6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -410.290984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.290984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.290984 (E_RNA)
where:
Base-Base interactions energy: -291.900
where: short stacking energy: -118.558
Base-Backbone interact. energy: 1.630
local terms energy: -120.020476
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -31.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -395.060310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.060310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.060310 (E_RNA)
where:
Base-Base interactions energy: -283.320
where: short stacking energy: -114.394
Base-Backbone interact. energy: -0.118
local terms energy: -111.623263
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -31.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -392.434041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.434041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.434041 (E_RNA)
where:
Base-Base interactions energy: -284.263
where: short stacking energy: -114.319
Base-Backbone interact. energy: -0.024
local terms energy: -108.146885
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -25.420
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -30.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -371.625827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.625827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.625827 (E_RNA)
where:
Base-Base interactions energy: -254.936
where: short stacking energy: -102.754
Base-Backbone interact. energy: -0.343
local terms energy: -116.346540
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -308.474814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.474814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.474814 (E_RNA)
where:
Base-Base interactions energy: -209.070
where: short stacking energy: -84.081
Base-Backbone interact. energy: -0.443
local terms energy: -98.961423
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -312.660702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.660702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.660702 (E_RNA)
where:
Base-Base interactions energy: -204.420
where: short stacking energy: -82.203
Base-Backbone interact. energy: 0.845
local terms energy: -109.086626
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -234.163470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.163470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.163470 (E_RNA)
where:
Base-Base interactions energy: -140.011
where: short stacking energy: -83.246
Base-Backbone interact. energy: -0.615
local terms energy: -93.536892
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -15.868
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: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -120.412376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.412376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.412376 (E_RNA)
where:
Base-Base interactions energy: -50.605
where: short stacking energy: -37.140
Base-Backbone interact. energy: 0.332
local terms energy: -70.139097
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -11.425
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: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -173.088038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.088038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.088038 (E_RNA)
where:
Base-Base interactions energy: -96.401
where: short stacking energy: -42.937
Base-Backbone interact. energy: -0.777
local terms energy: -75.909616
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -112.444419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.444419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.444419 (E_RNA)
where:
Base-Base interactions energy: -54.061
where: short stacking energy: -38.595
Base-Backbone interact. energy: 0.582
local terms energy: -58.965463
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -0.425
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -395.819673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.819673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.819673 (E_RNA)
where:
Base-Base interactions energy: -276.599
where: short stacking energy: -110.541
Base-Backbone interact. energy: -0.870
local terms energy: -118.351157
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -30.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -401.749879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.749879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.749879 (E_RNA)
where:
Base-Base interactions energy: -275.561
where: short stacking energy: -110.512
Base-Backbone interact. energy: -0.002
local terms energy: -126.186778
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -37.220
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: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -389.174213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.174213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.174213 (E_RNA)
where:
Base-Base interactions energy: -266.839
where: short stacking energy: -98.236
Base-Backbone interact. energy: -0.569
local terms energy: -121.766542
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -31.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -357.112540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.112540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.112540 (E_RNA)
where:
Base-Base interactions energy: -246.116
where: short stacking energy: -89.994
Base-Backbone interact. energy: -1.047
local terms energy: -109.949487
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -25.852
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: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -306.065814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.065814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.065814 (E_RNA)
where:
Base-Base interactions energy: -205.699
where: short stacking energy: -79.634
Base-Backbone interact. energy: -1.432
local terms energy: -98.934307
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -297.459773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.459773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.459773 (E_RNA)
where:
Base-Base interactions energy: -211.340
where: short stacking energy: -98.912
Base-Backbone interact. energy: -2.262
local terms energy: -83.858031
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -25.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -229.208625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.208625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.208625 (E_RNA)
where:
Base-Base interactions energy: -156.937
where: short stacking energy: -79.370
Base-Backbone interact. energy: -0.474
local terms energy: -71.797889
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -9.778
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: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -214.659844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.659844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.659844 (E_RNA)
where:
Base-Base interactions energy: -137.937
where: short stacking energy: -59.260
Base-Backbone interact. energy: -1.133
local terms energy: -75.589481
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -7.642
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: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -156.345161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.345161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.345161 (E_RNA)
where:
Base-Base interactions energy: -82.872
where: short stacking energy: -58.595
Base-Backbone interact. energy: -0.166
local terms energy: -73.307752
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -116.109672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.109672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.109672 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -31.798
Base-Backbone interact. energy: -0.278
local terms energy: -76.131974
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -422.636639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.636639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.636639 (E_RNA)
where:
Base-Base interactions energy: -296.672
where: short stacking energy: -123.507
Base-Backbone interact. energy: 1.773
local terms energy: -127.737705
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -38.236
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: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -379.628575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.628575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.628575 (E_RNA)
where:
Base-Base interactions energy: -265.092
where: short stacking energy: -105.652
Base-Backbone interact. energy: -0.847
local terms energy: -113.689157
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -382.679575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.679575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.679575 (E_RNA)
where:
Base-Base interactions energy: -268.055
where: short stacking energy: -103.740
Base-Backbone interact. energy: -0.727
local terms energy: -113.897340
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -16.453
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: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -367.404880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.404880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.404880 (E_RNA)
where:
Base-Base interactions energy: -262.015
where: short stacking energy: -98.831
Base-Backbone interact. energy: -0.257
local terms energy: -105.133206
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -23.660
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: 428
Temperature: 1.100000
Total energy: -325.763741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.763741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.763741 (E_RNA)
where:
Base-Base interactions energy: -221.825
where: short stacking energy: -90.526
Base-Backbone interact. energy: -1.306
local terms energy: -102.632519
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -18.022
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: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -303.589485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.589485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.589485 (E_RNA)
where:
Base-Base interactions energy: -200.043
where: short stacking energy: -90.331
Base-Backbone interact. energy: -0.216
local terms energy: -103.330259
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -20.720
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: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -227.541941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.541941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.541941 (E_RNA)
where:
Base-Base interactions energy: -140.362
where: short stacking energy: -80.458
Base-Backbone interact. energy: 6.220
local terms energy: -93.399340
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -14.723
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: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -197.870525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.870525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.870525 (E_RNA)
where:
Base-Base interactions energy: -115.929
where: short stacking energy: -60.509
Base-Backbone interact. energy: -0.471
local terms energy: -81.470689
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -123.337545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.337545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.337545 (E_RNA)
where:
Base-Base interactions energy: -44.314
where: short stacking energy: -37.580
Base-Backbone interact. energy: -0.184
local terms energy: -78.839145
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -6.270
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: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -114.166797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.166797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.166797 (E_RNA)
where:
Base-Base interactions energy: -50.682
where: short stacking energy: -31.797
Base-Backbone interact. energy: 0.539
local terms energy: -64.023812
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -4.686
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -410.497257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.497257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.497257 (E_RNA)
where:
Base-Base interactions energy: -280.244
where: short stacking energy: -119.827
Base-Backbone interact. energy: -0.638
local terms energy: -129.615416
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -38.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -389.709402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.709402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.709402 (E_RNA)
where:
Base-Base interactions energy: -280.113
where: short stacking energy: -108.812
Base-Backbone interact. energy: -0.448
local terms energy: -109.148388
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -380.006780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.006780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.006780 (E_RNA)
where:
Base-Base interactions energy: -263.962
where: short stacking energy: -102.977
Base-Backbone interact. energy: 0.079
local terms energy: -116.123844
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -373.461107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.461107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.461107 (E_RNA)
where:
Base-Base interactions energy: -263.816
where: short stacking energy: -109.752
Base-Backbone interact. energy: -1.081
local terms energy: -108.563684
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -27.524
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: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -332.748443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.748443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.748443 (E_RNA)
where:
Base-Base interactions energy: -236.138
where: short stacking energy: -91.797
Base-Backbone interact. energy: 0.298
local terms energy: -96.908544
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -22.163
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: 429
Temperature: 1.150000
Total energy: -293.370442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.370442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.370442 (E_RNA)
where:
Base-Base interactions energy: -195.859
where: short stacking energy: -78.975
Base-Backbone interact. energy: 0.805
local terms energy: -98.316124
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -19.868
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: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -229.390404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.390404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.390404 (E_RNA)
where:
Base-Base interactions energy: -145.681
where: short stacking energy: -56.194
Base-Backbone interact. energy: -0.047
local terms energy: -83.662464
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -8.657
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: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -194.219602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.219602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.219602 (E_RNA)
where:
Base-Base interactions energy: -122.393
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.026
local terms energy: -71.800865
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -1.780
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -119.273737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.273737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.273737 (E_RNA)
where:
Base-Base interactions energy: -43.011
where: short stacking energy: -39.913
Base-Backbone interact. energy: -1.443
local terms energy: -74.820499
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -151.748974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.748974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.748974 (E_RNA)
where:
Base-Base interactions energy: -83.455
where: short stacking energy: -52.853
Base-Backbone interact. energy: -0.035
local terms energy: -68.258912
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -6.928
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: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -406.079871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.079871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.079871 (E_RNA)
where:
Base-Base interactions energy: -286.781
where: short stacking energy: -112.498
Base-Backbone interact. energy: -1.050
local terms energy: -118.248677
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -30.343
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: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -416.722445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.722445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.722445 (E_RNA)
where:
Base-Base interactions energy: -293.326
where: short stacking energy: -113.202
Base-Backbone interact. energy: -0.005
local terms energy: -123.391911
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -36.691
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: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -377.697286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.697286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.697286 (E_RNA)
where:
Base-Base interactions energy: -265.492
where: short stacking energy: -110.683
Base-Backbone interact. energy: -0.894
local terms energy: -111.311299
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -28.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -371.930871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.930871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.930871 (E_RNA)
where:
Base-Base interactions energy: -256.170
where: short stacking energy: -93.247
Base-Backbone interact. energy: -0.576
local terms energy: -115.184570
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -330.803263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.803263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.803263 (E_RNA)
where:
Base-Base interactions energy: -218.339
where: short stacking energy: -88.123
Base-Backbone interact. energy: -0.653
local terms energy: -111.811127
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -314.351295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.351295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.351295 (E_RNA)
where:
Base-Base interactions energy: -206.232
where: short stacking energy: -101.301
Base-Backbone interact. energy: -0.120
local terms energy: -107.999397
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -216.827723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.827723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.827723 (E_RNA)
where:
Base-Base interactions energy: -137.763
where: short stacking energy: -63.086
Base-Backbone interact. energy: 0.024
local terms energy: -79.088736
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -199.081085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.081085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.081085 (E_RNA)
where:
Base-Base interactions energy: -120.217
where: short stacking energy: -58.327
Base-Backbone interact. energy: -0.183
local terms energy: -78.681015
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -139.875853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.875853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.875853 (E_RNA)
where:
Base-Base interactions energy: -75.779
where: short stacking energy: -36.060
Base-Backbone interact. energy: 1.159
local terms energy: -65.255524
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -13.288
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: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -125.181101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.181101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.181101 (E_RNA)
where:
Base-Base interactions energy: -50.953
where: short stacking energy: -48.812
Base-Backbone interact. energy: 0.448
local terms energy: -74.675565
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -13.746
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: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -399.547284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.547284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.547284 (E_RNA)
where:
Base-Base interactions energy: -290.134
where: short stacking energy: -108.123
Base-Backbone interact. energy: 0.316
local terms energy: -109.729837
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -29.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -410.135580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.135580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.135580 (E_RNA)
where:
Base-Base interactions energy: -297.944
where: short stacking energy: -119.982
Base-Backbone interact. energy: -0.089
local terms energy: -112.102201
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -373.955431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.955431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.955431 (E_RNA)
where:
Base-Base interactions energy: -261.475
where: short stacking energy: -97.043
Base-Backbone interact. energy: -0.926
local terms energy: -111.554751
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -346.480864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.480864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.480864 (E_RNA)
where:
Base-Base interactions energy: -238.310
where: short stacking energy: -92.139
Base-Backbone interact. energy: -0.119
local terms energy: -108.051963
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -336.609003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.609003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.609003 (E_RNA)
where:
Base-Base interactions energy: -233.578
where: short stacking energy: -98.075
Base-Backbone interact. energy: -0.223
local terms energy: -102.808343
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -26.085
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -310.913975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.913975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.913975 (E_RNA)
where:
Base-Base interactions energy: -201.527
where: short stacking energy: -86.748
Base-Backbone interact. energy: 3.318
local terms energy: -112.704720
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -17.943
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: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -244.617764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.617764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.617764 (E_RNA)
where:
Base-Base interactions energy: -156.412
where: short stacking energy: -74.645
Base-Backbone interact. energy: -0.145
local terms energy: -88.060851
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -205.120969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.120969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.120969 (E_RNA)
where:
Base-Base interactions energy: -127.396
where: short stacking energy: -72.586
Base-Backbone interact. energy: -0.207
local terms energy: -77.517397
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -11.526
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: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -136.349654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.349654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.349654 (E_RNA)
where:
Base-Base interactions energy: -67.354
where: short stacking energy: -36.605
Base-Backbone interact. energy: 0.826
local terms energy: -69.821867
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: 6.276
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: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -112.206162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.206162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.206162 (E_RNA)
where:
Base-Base interactions energy: -47.248
where: short stacking energy: -34.101
Base-Backbone interact. energy: 1.865
local terms energy: -66.823374
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -12.275
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: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -423.027052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.027052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.027052 (E_RNA)
where:
Base-Base interactions energy: -300.136
where: short stacking energy: -125.221
Base-Backbone interact. energy: -0.152
local terms energy: -122.738110
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -36.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -380.343290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.343290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.343290 (E_RNA)
where:
Base-Base interactions energy: -263.820
where: short stacking energy: -102.216
Base-Backbone interact. energy: 1.797
local terms energy: -118.320694
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -26.789
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: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -370.635145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.635145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.635145 (E_RNA)
where:
Base-Base interactions energy: -259.564
where: short stacking energy: -98.923
Base-Backbone interact. energy: -0.609
local terms energy: -110.462346
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -24.563
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: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -364.745416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.745416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.745416 (E_RNA)
where:
Base-Base interactions energy: -258.321
where: short stacking energy: -108.939
Base-Backbone interact. energy: 0.215
local terms energy: -106.639080
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -25.042
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: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -340.706439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.706439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.706439 (E_RNA)
where:
Base-Base interactions energy: -232.561
where: short stacking energy: -99.492
Base-Backbone interact. energy: -0.460
local terms energy: -107.685758
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -23.772
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: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -326.552921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.552921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.552921 (E_RNA)
where:
Base-Base interactions energy: -227.968
where: short stacking energy: -100.068
Base-Backbone interact. energy: -0.281
local terms energy: -98.304655
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -219.435127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.435127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.435127 (E_RNA)
where:
Base-Base interactions energy: -121.722
where: short stacking energy: -67.394
Base-Backbone interact. energy: -0.047
local terms energy: -97.666020
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -225.836429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.836429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.836429 (E_RNA)
where:
Base-Base interactions energy: -154.639
where: short stacking energy: -62.272
Base-Backbone interact. energy: -0.359
local terms energy: -70.838306
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -128.981078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.981078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.981078 (E_RNA)
where:
Base-Base interactions energy: -54.063
where: short stacking energy: -45.532
Base-Backbone interact. energy: 0.080
local terms energy: -74.998224
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -158.465244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.465244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.465244 (E_RNA)
where:
Base-Base interactions energy: -88.142
where: short stacking energy: -42.873
Base-Backbone interact. energy: -0.400
local terms energy: -69.922877
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -12.327
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: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -419.594433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.594433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.594433 (E_RNA)
where:
Base-Base interactions energy: -288.134
where: short stacking energy: -119.530
Base-Backbone interact. energy: -0.226
local terms energy: -131.235388
where:
bonds (distance) C4'-P energy: -24.633
bonds (distance) P-C4' energy: -25.900
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -37.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -367.430244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.430244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.430244 (E_RNA)
where:
Base-Base interactions energy: -256.877
where: short stacking energy: -101.441
Base-Backbone interact. energy: 0.061
local terms energy: -110.614617
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -368.849989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.849989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.849989 (E_RNA)
where:
Base-Base interactions energy: -271.353
where: short stacking energy: -108.850
Base-Backbone interact. energy: 1.020
local terms energy: -98.517049
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -369.293241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.293241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.293241 (E_RNA)
where:
Base-Base interactions energy: -253.643
where: short stacking energy: -99.010
Base-Backbone interact. energy: -0.405
local terms energy: -115.245433
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -310.035067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.035067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.035067 (E_RNA)
where:
Base-Base interactions energy: -218.121
where: short stacking energy: -94.399
Base-Backbone interact. energy: -0.431
local terms energy: -91.483337
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -23.229
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: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -325.665235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.665235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.665235 (E_RNA)
where:
Base-Base interactions energy: -221.159
where: short stacking energy: -95.108
Base-Backbone interact. energy: -0.348
local terms energy: -104.158232
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -236.208933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.208933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.208933 (E_RNA)
where:
Base-Base interactions energy: -137.327
where: short stacking energy: -68.160
Base-Backbone interact. energy: 0.928
local terms energy: -99.810471
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -236.428648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.428648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.428648 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.370
local terms energy: -89.129152
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -15.190
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: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -118.495276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.495276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.495276 (E_RNA)
where:
Base-Base interactions energy: -49.545
where: short stacking energy: -48.426
Base-Backbone interact. energy: -0.584
local terms energy: -68.365958
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -150.680479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.680479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.680479 (E_RNA)
where:
Base-Base interactions energy: -84.130
where: short stacking energy: -34.809
Base-Backbone interact. energy: 2.156
local terms energy: -68.706270
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -387.068881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.068881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.068881 (E_RNA)
where:
Base-Base interactions energy: -268.806
where: short stacking energy: -102.370
Base-Backbone interact. energy: -0.550
local terms energy: -117.712937
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -407.873703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.873703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.873703 (E_RNA)
where:
Base-Base interactions energy: -282.630
where: short stacking energy: -112.304
Base-Backbone interact. energy: -0.009
local terms energy: -125.234876
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -24.693
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -37.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -372.681109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.681109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.681109 (E_RNA)
where:
Base-Base interactions energy: -261.371
where: short stacking energy: -103.345
Base-Backbone interact. energy: -0.580
local terms energy: -110.730152
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -24.358
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: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -370.593570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.593570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.593570 (E_RNA)
where:
Base-Base interactions energy: -270.535
where: short stacking energy: -103.938
Base-Backbone interact. energy: -0.704
local terms energy: -99.355115
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -26.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -331.606907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.606907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.606907 (E_RNA)
where:
Base-Base interactions energy: -227.196
where: short stacking energy: -96.163
Base-Backbone interact. energy: -0.239
local terms energy: -104.172121
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -25.016
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -23.889
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: 434
Temperature: 1.150000
Total energy: -309.636947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.636947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.636947 (E_RNA)
where:
Base-Base interactions energy: -205.448
where: short stacking energy: -81.900
Base-Backbone interact. energy: -1.169
local terms energy: -103.019438
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -16.627
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: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -230.967037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.967037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.967037 (E_RNA)
where:
Base-Base interactions energy: -144.654
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.066
local terms energy: -86.247195
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -209.273438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.273438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.273438 (E_RNA)
where:
Base-Base interactions energy: -123.215
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.288
local terms energy: -85.769950
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -11.721
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: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -124.554345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.554345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.554345 (E_RNA)
where:
Base-Base interactions energy: -57.265
where: short stacking energy: -42.141
Base-Backbone interact. energy: -0.236
local terms energy: -67.053170
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -116.176864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.176864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.176864 (E_RNA)
where:
Base-Base interactions energy: -37.714
where: short stacking energy: -29.433
Base-Backbone interact. energy: 0.274
local terms energy: -78.736898
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -388.352298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.352298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.352298 (E_RNA)
where:
Base-Base interactions energy: -276.777
where: short stacking energy: -95.713
Base-Backbone interact. energy: -0.400
local terms energy: -111.175069
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -414.601161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.601161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.601161 (E_RNA)
where:
Base-Base interactions energy: -284.731
where: short stacking energy: -115.728
Base-Backbone interact. energy: -0.368
local terms energy: -129.502198
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -37.547
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: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -375.084649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.084649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.084649 (E_RNA)
where:
Base-Base interactions energy: -261.751
where: short stacking energy: -105.987
Base-Backbone interact. energy: -0.440
local terms energy: -112.894081
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -31.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -368.384705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.384705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.384705 (E_RNA)
where:
Base-Base interactions energy: -268.544
where: short stacking energy: -105.609
Base-Backbone interact. energy: 0.099
local terms energy: -99.939675
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -17.678
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: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -333.305025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.305025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.305025 (E_RNA)
where:
Base-Base interactions energy: -228.100
where: short stacking energy: -97.404
Base-Backbone interact. energy: -0.119
local terms energy: -105.085913
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -28.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -292.440886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.440886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.440886 (E_RNA)
where:
Base-Base interactions energy: -195.965
where: short stacking energy: -88.572
Base-Backbone interact. energy: -0.348
local terms energy: -96.127178
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -245.376883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.376883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.376883 (E_RNA)
where:
Base-Base interactions energy: -145.696
where: short stacking energy: -67.519
Base-Backbone interact. energy: -0.271
local terms energy: -99.409467
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -197.436032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.436032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.436032 (E_RNA)
where:
Base-Base interactions energy: -114.018
where: short stacking energy: -49.238
Base-Backbone interact. energy: -0.254
local terms energy: -83.164342
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -135.687550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.687550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.687550 (E_RNA)
where:
Base-Base interactions energy: -48.242
where: short stacking energy: -47.606
Base-Backbone interact. energy: -0.100
local terms energy: -87.345680
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -124.127494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.127494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.127494 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -41.058
Base-Backbone interact. energy: -1.000
local terms energy: -76.754436
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -406.357091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.357091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.357091 (E_RNA)
where:
Base-Base interactions energy: -292.351
where: short stacking energy: -121.292
Base-Backbone interact. energy: -0.676
local terms energy: -113.330777
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -31.887
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: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -380.203817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.203817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.203817 (E_RNA)
where:
Base-Base interactions energy: -261.645
where: short stacking energy: -117.359
Base-Backbone interact. energy: -0.804
local terms energy: -117.755147
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -23.223
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -26.882
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -388.636168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.636168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.636168 (E_RNA)
where:
Base-Base interactions energy: -278.094
where: short stacking energy: -99.173
Base-Backbone interact. energy: -0.462
local terms energy: -110.080495
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -28.129
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -361.283007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.283007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.283007 (E_RNA)
where:
Base-Base interactions energy: -253.121
where: short stacking energy: -96.739
Base-Backbone interact. energy: 0.407
local terms energy: -108.569702
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -25.992
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: 436
Temperature: 1.100000
Total energy: -334.877281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.877281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.877281 (E_RNA)
where:
Base-Base interactions energy: -215.198
where: short stacking energy: -93.216
Base-Backbone interact. energy: -0.907
local terms energy: -118.772295
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -24.148
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: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -299.153456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.153456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.153456 (E_RNA)
where:
Base-Base interactions energy: -186.886
where: short stacking energy: -81.845
Base-Backbone interact. energy: 0.054
local terms energy: -112.320964
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -21.965
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: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -256.594230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.594230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.594230 (E_RNA)
where:
Base-Base interactions energy: -176.205
where: short stacking energy: -77.969
Base-Backbone interact. energy: 0.486
local terms energy: -80.874817
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -227.079299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.079299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.079299 (E_RNA)
where:
Base-Base interactions energy: -134.906
where: short stacking energy: -75.169
Base-Backbone interact. energy: -0.809
local terms energy: -91.364435
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -126.624439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.624439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.624439 (E_RNA)
where:
Base-Base interactions energy: -49.069
where: short stacking energy: -49.069
Base-Backbone interact. energy: -0.060
local terms energy: -77.495563
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -112.771797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.771797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.771797 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.022
local terms energy: -74.131099
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -414.457422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.457422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.457422 (E_RNA)
where:
Base-Base interactions energy: -293.022
where: short stacking energy: -117.403
Base-Backbone interact. energy: -0.008
local terms energy: -121.427498
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -398.643566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.643566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.643566 (E_RNA)
where:
Base-Base interactions energy: -280.189
where: short stacking energy: -107.516
Base-Backbone interact. energy: -0.408
local terms energy: -118.046317
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -27.004
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: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -390.673208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.673208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.673208 (E_RNA)
where:
Base-Base interactions energy: -276.948
where: short stacking energy: -116.821
Base-Backbone interact. energy: -0.934
local terms energy: -112.790703
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -29.349
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: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -377.023436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.023436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.023436 (E_RNA)
where:
Base-Base interactions energy: -261.231
where: short stacking energy: -96.499
Base-Backbone interact. energy: -0.640
local terms energy: -115.152175
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -26.140
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: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -335.021206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.021206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.021206 (E_RNA)
where:
Base-Base interactions energy: -228.518
where: short stacking energy: -93.916
Base-Backbone interact. energy: -0.589
local terms energy: -105.913908
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -26.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -279.880381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.880381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.880381 (E_RNA)
where:
Base-Base interactions energy: -182.308
where: short stacking energy: -81.298
Base-Backbone interact. energy: -0.984
local terms energy: -96.588053
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -284.657292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.657292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.657292 (E_RNA)
where:
Base-Base interactions energy: -185.296
where: short stacking energy: -82.709
Base-Backbone interact. energy: -0.029
local terms energy: -99.332145
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -24.384
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: 437
Temperature: 1.250000
Total energy: -242.425845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.425845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.425845 (E_RNA)
where:
Base-Base interactions energy: -145.245
where: short stacking energy: -75.570
Base-Backbone interact. energy: -1.685
local terms energy: -95.495826
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -142.443293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.443293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.443293 (E_RNA)
where:
Base-Base interactions energy: -79.473
where: short stacking energy: -54.810
Base-Backbone interact. energy: -0.416
local terms energy: -62.554304
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -119.281827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.281827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.281827 (E_RNA)
where:
Base-Base interactions energy: -43.094
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.285
local terms energy: -75.902684
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -415.954115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.954115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.954115 (E_RNA)
where:
Base-Base interactions energy: -294.244
where: short stacking energy: -121.122
Base-Backbone interact. energy: -0.005
local terms energy: -121.705071
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -38.156
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: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -385.904066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.904066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.904066 (E_RNA)
where:
Base-Base interactions energy: -275.690
where: short stacking energy: -107.716
Base-Backbone interact. energy: -0.346
local terms energy: -109.868551
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -27.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -389.770169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.770169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.770169 (E_RNA)
where:
Base-Base interactions energy: -277.816
where: short stacking energy: -108.599
Base-Backbone interact. energy: -0.110
local terms energy: -111.843978
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -28.158
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: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -365.884477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.884477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.884477 (E_RNA)
where:
Base-Base interactions energy: -266.099
where: short stacking energy: -98.212
Base-Backbone interact. energy: -0.247
local terms energy: -99.538724
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -330.443901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.443901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.443901 (E_RNA)
where:
Base-Base interactions energy: -219.914
where: short stacking energy: -90.755
Base-Backbone interact. energy: -0.434
local terms energy: -110.096177
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -292.050249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.050249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.050249 (E_RNA)
where:
Base-Base interactions energy: -194.330
where: short stacking energy: -88.375
Base-Backbone interact. energy: -0.651
local terms energy: -97.069170
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -238.544369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.544369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.544369 (E_RNA)
where:
Base-Base interactions energy: -145.298
where: short stacking energy: -74.917
Base-Backbone interact. energy: -0.848
local terms energy: -92.398361
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -15.619
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: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -240.642207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.642207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.642207 (E_RNA)
where:
Base-Base interactions energy: -159.113
where: short stacking energy: -69.730
Base-Backbone interact. energy: 2.083
local terms energy: -83.612419
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -11.425
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: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -123.258355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.258355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.258355 (E_RNA)
where:
Base-Base interactions energy: -50.534
where: short stacking energy: -44.439
Base-Backbone interact. energy: -0.532
local terms energy: -72.192231
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -11.893
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: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -112.374822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.374822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.374822 (E_RNA)
where:
Base-Base interactions energy: -40.166
where: short stacking energy: -34.359
Base-Backbone interact. energy: 0.526
local terms energy: -72.735034
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -405.198263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.198263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.198263 (E_RNA)
where:
Base-Base interactions energy: -272.505
where: short stacking energy: -112.934
Base-Backbone interact. energy: 0.426
local terms energy: -133.118937
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -36.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -396.864487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.864487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.864487 (E_RNA)
where:
Base-Base interactions energy: -283.872
where: short stacking energy: -108.649
Base-Backbone interact. energy: 0.000
local terms energy: -112.993389
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -32.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -370.651872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.651872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.651872 (E_RNA)
where:
Base-Base interactions energy: -262.291
where: short stacking energy: -113.788
Base-Backbone interact. energy: -0.115
local terms energy: -108.245796
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -24.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -373.541689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.541689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.541689 (E_RNA)
where:
Base-Base interactions energy: -264.048
where: short stacking energy: -101.459
Base-Backbone interact. energy: 0.256
local terms energy: -109.749603
where:
bonds (distance) C4'-P energy: -23.940
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -27.338
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: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -342.853499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.853499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.853499 (E_RNA)
where:
Base-Base interactions energy: -239.666
where: short stacking energy: -104.436
Base-Backbone interact. energy: -0.523
local terms energy: -102.663619
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -286.587276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.587276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.587276 (E_RNA)
where:
Base-Base interactions energy: -200.989
where: short stacking energy: -83.804
Base-Backbone interact. energy: -0.345
local terms energy: -85.252850
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -209.682533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.682533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.682533 (E_RNA)
where:
Base-Base interactions energy: -112.461
where: short stacking energy: -58.712
Base-Backbone interact. energy: 1.097
local terms energy: -98.318283
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -13.133
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: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -289.301193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.301193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.301193 (E_RNA)
where:
Base-Base interactions energy: -201.877
where: short stacking energy: -80.044
Base-Backbone interact. energy: -0.166
local terms energy: -87.258000
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -24.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -122.448214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.448214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.448214 (E_RNA)
where:
Base-Base interactions energy: -57.371
where: short stacking energy: -43.433
Base-Backbone interact. energy: -1.221
local terms energy: -63.856584
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -120.654324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.654324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.654324 (E_RNA)
where:
Base-Base interactions energy: -40.744
where: short stacking energy: -40.744
Base-Backbone interact. energy: -0.133
local terms energy: -79.777428
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -390.483062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.483062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.483062 (E_RNA)
where:
Base-Base interactions energy: -277.009
where: short stacking energy: -111.313
Base-Backbone interact. energy: -0.923
local terms energy: -112.550465
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -24.640
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: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -410.748028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.748028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.748028 (E_RNA)
where:
Base-Base interactions energy: -291.413
where: short stacking energy: -122.228
Base-Backbone interact. energy: -0.008
local terms energy: -119.327651
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -39.016
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: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -381.661710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.661710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.661710 (E_RNA)
where:
Base-Base interactions energy: -265.099
where: short stacking energy: -105.808
Base-Backbone interact. energy: -0.331
local terms energy: -116.231678
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -33.568
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: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -368.508994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.508994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.508994 (E_RNA)
where:
Base-Base interactions energy: -259.835
where: short stacking energy: -99.264
Base-Backbone interact. energy: 0.301
local terms energy: -108.974378
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -31.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -320.540388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.540388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.540388 (E_RNA)
where:
Base-Base interactions energy: -216.899
where: short stacking energy: -94.381
Base-Backbone interact. energy: -0.192
local terms energy: -103.449347
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -15.088
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: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -293.947839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.947839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.947839 (E_RNA)
where:
Base-Base interactions energy: -193.314
where: short stacking energy: -81.942
Base-Backbone interact. energy: -0.177
local terms energy: -100.457204
where:
bonds (distance) C4'-P energy: -26.821
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -274.119233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.119233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.119233 (E_RNA)
where:
Base-Base interactions energy: -177.756
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.317
local terms energy: -96.045833
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -26.909
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -222.695634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.695634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.695634 (E_RNA)
where:
Base-Base interactions energy: -129.403
where: short stacking energy: -70.222
Base-Backbone interact. energy: -0.263
local terms energy: -93.029331
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -136.890228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.890228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.890228 (E_RNA)
where:
Base-Base interactions energy: -55.292
where: short stacking energy: -41.590
Base-Backbone interact. energy: 0.580
local terms energy: -82.178516
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -10.393
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: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -112.783156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.783156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.783156 (E_RNA)
where:
Base-Base interactions energy: -51.715
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.886
local terms energy: -60.182540
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -10.990
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -386.037772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.037772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.037772 (E_RNA)
where:
Base-Base interactions energy: -278.395
where: short stacking energy: -105.310
Base-Backbone interact. energy: -0.725
local terms energy: -106.918693
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -26.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -409.108404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.108404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.108404 (E_RNA)
where:
Base-Base interactions energy: -281.781
where: short stacking energy: -116.369
Base-Backbone interact. energy: -0.108
local terms energy: -127.219998
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -38.402
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: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -368.485931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.485931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.485931 (E_RNA)
where:
Base-Base interactions energy: -267.570
where: short stacking energy: -101.642
Base-Backbone interact. energy: -0.473
local terms energy: -100.443495
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -27.337
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: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -338.925697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.925697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.925697 (E_RNA)
where:
Base-Base interactions energy: -225.754
where: short stacking energy: -96.842
Base-Backbone interact. energy: -2.838
local terms energy: -110.334344
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -341.920049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.920049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.920049 (E_RNA)
where:
Base-Base interactions energy: -246.112
where: short stacking energy: -89.936
Base-Backbone interact. energy: 6.081
local terms energy: -101.888791
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -303.324393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.324393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.324393 (E_RNA)
where:
Base-Base interactions energy: -205.288
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.640
local terms energy: -97.396010
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -21.790
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: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -282.174589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.174589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.174589 (E_RNA)
where:
Base-Base interactions energy: -179.005
where: short stacking energy: -82.635
Base-Backbone interact. energy: 0.902
local terms energy: -104.071941
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -202.282826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.282826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.282826 (E_RNA)
where:
Base-Base interactions energy: -116.144
where: short stacking energy: -66.250
Base-Backbone interact. energy: -0.318
local terms energy: -85.820359
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -23.008
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -15.276
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: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -144.351696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.351696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.351696 (E_RNA)
where:
Base-Base interactions energy: -60.073
where: short stacking energy: -54.135
Base-Backbone interact. energy: -0.461
local terms energy: -83.817269
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -114.991162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.991162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.991162 (E_RNA)
where:
Base-Base interactions energy: -40.776
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.572
local terms energy: -73.643220
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -0.017
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: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -428.248680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.248680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.248680 (E_RNA)
where:
Base-Base interactions energy: -306.992
where: short stacking energy: -125.226
Base-Backbone interact. energy: -0.006
local terms energy: -121.250279
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -37.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -372.555974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.555974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.555974 (E_RNA)
where:
Base-Base interactions energy: -261.422
where: short stacking energy: -105.367
Base-Backbone interact. energy: -0.166
local terms energy: -110.968742
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -22.935
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: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -345.423473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.423473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.423473 (E_RNA)
where:
Base-Base interactions energy: -237.007
where: short stacking energy: -93.234
Base-Backbone interact. energy: -1.237
local terms energy: -107.180097
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -375.807437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.807437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.807437 (E_RNA)
where:
Base-Base interactions energy: -270.276
where: short stacking energy: -101.911
Base-Backbone interact. energy: -0.439
local terms energy: -105.092686
where:
bonds (distance) C4'-P energy: -26.070
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -28.024
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: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -349.477134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.477134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.477134 (E_RNA)
where:
Base-Base interactions energy: -243.765
where: short stacking energy: -94.401
Base-Backbone interact. energy: -0.425
local terms energy: -105.286370
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -328.072409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.072409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.072409 (E_RNA)
where:
Base-Base interactions energy: -216.277
where: short stacking energy: -104.211
Base-Backbone interact. energy: -0.948
local terms energy: -110.846770
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -28.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -215.326876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.326876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.326876 (E_RNA)
where:
Base-Base interactions energy: -130.129
where: short stacking energy: -61.304
Base-Backbone interact. energy: -1.720
local terms energy: -83.478156
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -11.036
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: 442
Temperature: 1.250000
Total energy: -280.295286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.295286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.295286 (E_RNA)
where:
Base-Base interactions energy: -189.743
where: short stacking energy: -92.631
Base-Backbone interact. energy: 3.028
local terms energy: -93.579925
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -115.069504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.069504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.069504 (E_RNA)
where:
Base-Base interactions energy: -47.328
where: short stacking energy: -47.328
Base-Backbone interact. energy: -0.139
local terms energy: -67.602516
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -8.701
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: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -131.907446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.907446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.907446 (E_RNA)
where:
Base-Base interactions energy: -52.408
where: short stacking energy: -47.199
Base-Backbone interact. energy: -0.444
local terms energy: -79.055073
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -424.970740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.970740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.970740 (E_RNA)
where:
Base-Base interactions energy: -302.268
where: short stacking energy: -119.318
Base-Backbone interact. energy: -0.499
local terms energy: -122.204485
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -379.341218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.341218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.341218 (E_RNA)
where:
Base-Base interactions energy: -273.437
where: short stacking energy: -104.189
Base-Backbone interact. energy: -0.071
local terms energy: -105.832871
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -343.518882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.518882 (E_RNA)
where:
Base-Base interactions energy: -233.214
where: short stacking energy: -99.044
Base-Backbone interact. energy: -1.205
local terms energy: -109.099760
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -369.400930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.400930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.400930 (E_RNA)
where:
Base-Base interactions energy: -265.078
where: short stacking energy: -104.555
Base-Backbone interact. energy: -0.929
local terms energy: -103.393363
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -24.105
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: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -352.616733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.616733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.616733 (E_RNA)
where:
Base-Base interactions energy: -255.554
where: short stacking energy: -99.740
Base-Backbone interact. energy: -1.261
local terms energy: -95.801835
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -24.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -299.545152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.545152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.545152 (E_RNA)
where:
Base-Base interactions energy: -196.173
where: short stacking energy: -94.772
Base-Backbone interact. energy: -1.640
local terms energy: -101.732088
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -26.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -211.832500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.832500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.832500 (E_RNA)
where:
Base-Base interactions energy: -123.156
where: short stacking energy: -72.054
Base-Backbone interact. energy: 0.641
local terms energy: -89.317428
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -288.523224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.523224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.523224 (E_RNA)
where:
Base-Base interactions energy: -191.811
where: short stacking energy: -91.448
Base-Backbone interact. energy: -0.532
local terms energy: -96.180501
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -20.430
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: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -116.679238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.679238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.679238 (E_RNA)
where:
Base-Base interactions energy: -37.311
where: short stacking energy: -35.840
Base-Backbone interact. energy: 1.466
local terms energy: -80.834349
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -124.587464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.587464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.587464 (E_RNA)
where:
Base-Base interactions energy: -49.706
where: short stacking energy: -45.423
Base-Backbone interact. energy: -0.106
local terms energy: -74.775985
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -424.962047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.962047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.962047 (E_RNA)
where:
Base-Base interactions energy: -311.029
where: short stacking energy: -123.079
Base-Backbone interact. energy: -0.129
local terms energy: -113.804175
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -37.290
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: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -376.798435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.798435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.798435 (E_RNA)
where:
Base-Base interactions energy: -277.526
where: short stacking energy: -106.020
Base-Backbone interact. energy: -0.207
local terms energy: -99.065516
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -26.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -381.495749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.495749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.495749 (E_RNA)
where:
Base-Base interactions energy: -276.289
where: short stacking energy: -100.870
Base-Backbone interact. energy: -0.150
local terms energy: -105.056993
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -340.062412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.062412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.062412 (E_RNA)
where:
Base-Base interactions energy: -233.672
where: short stacking energy: -101.481
Base-Backbone interact. energy: -0.566
local terms energy: -105.824726
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -22.580
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: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -352.695449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.695449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.695449 (E_RNA)
where:
Base-Base interactions energy: -246.530
where: short stacking energy: -99.346
Base-Backbone interact. energy: -1.105
local terms energy: -105.060346
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -285.061736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.061736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.061736 (E_RNA)
where:
Base-Base interactions energy: -184.493
where: short stacking energy: -79.481
Base-Backbone interact. energy: -0.458
local terms energy: -100.110588
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -263.805208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.805208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.805208 (E_RNA)
where:
Base-Base interactions energy: -181.609
where: short stacking energy: -77.029
Base-Backbone interact. energy: 0.833
local terms energy: -83.029176
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -203.515776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.515776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.515776 (E_RNA)
where:
Base-Base interactions energy: -110.757
where: short stacking energy: -66.999
Base-Backbone interact. energy: 0.687
local terms energy: -93.446485
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -12.426
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: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -120.519962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.519962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.519962 (E_RNA)
where:
Base-Base interactions energy: -50.258
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.228
local terms energy: -70.033488
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -105.905872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.905872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.905872 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -30.257
Base-Backbone interact. energy: -0.744
local terms energy: -65.146691
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -10.589
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: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -424.728080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.728080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.728080 (E_RNA)
where:
Base-Base interactions energy: -301.415
where: short stacking energy: -125.554
Base-Backbone interact. energy: -0.013
local terms energy: -123.300457
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -25.229
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -36.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -377.611744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.611744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.611744 (E_RNA)
where:
Base-Base interactions energy: -258.051
where: short stacking energy: -99.172
Base-Backbone interact. energy: -0.486
local terms energy: -119.074533
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -27.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -385.320971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.320971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.320971 (E_RNA)
where:
Base-Base interactions energy: -269.245
where: short stacking energy: -105.279
Base-Backbone interact. energy: -0.596
local terms energy: -115.479681
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -25.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -363.575500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.575500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.575500 (E_RNA)
where:
Base-Base interactions energy: -248.875
where: short stacking energy: -100.918
Base-Backbone interact. energy: -0.501
local terms energy: -114.199977
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -336.499313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.499313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.499313 (E_RNA)
where:
Base-Base interactions energy: -232.412
where: short stacking energy: -99.518
Base-Backbone interact. energy: -0.058
local terms energy: -104.029663
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -23.485
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: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -304.912511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.912511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.912511 (E_RNA)
where:
Base-Base interactions energy: -204.441
where: short stacking energy: -97.611
Base-Backbone interact. energy: 0.927
local terms energy: -101.397785
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -24.384
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -266.601673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.601673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.601673 (E_RNA)
where:
Base-Base interactions energy: -172.612
where: short stacking energy: -76.755
Base-Backbone interact. energy: 1.734
local terms energy: -95.724315
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -14.304
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: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -195.400948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.400948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.400948 (E_RNA)
where:
Base-Base interactions energy: -112.237
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.420
local terms energy: -82.744656
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -116.783767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.783767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.783767 (E_RNA)
where:
Base-Base interactions energy: -48.970
where: short stacking energy: -44.528
Base-Backbone interact. energy: -0.190
local terms energy: -67.624327
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -104.600541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.600541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.600541 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -35.793
Base-Backbone interact. energy: -0.594
local terms energy: -68.213880
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -418.447699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.447699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.447699 (E_RNA)
where:
Base-Base interactions energy: -291.407
where: short stacking energy: -121.110
Base-Backbone interact. energy: -0.103
local terms energy: -126.937434
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -36.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -378.260799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.260799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.260799 (E_RNA)
where:
Base-Base interactions energy: -259.536
where: short stacking energy: -113.141
Base-Backbone interact. energy: 0.617
local terms energy: -119.341858
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -26.273
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -27.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -384.016001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.016001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.016001 (E_RNA)
where:
Base-Base interactions energy: -271.271
where: short stacking energy: -110.251
Base-Backbone interact. energy: -0.375
local terms energy: -112.369725
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -376.147153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.147153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.147153 (E_RNA)
where:
Base-Base interactions energy: -264.643
where: short stacking energy: -94.445
Base-Backbone interact. energy: -0.293
local terms energy: -111.211394
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -27.994
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: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -319.887877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.887877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.887877 (E_RNA)
where:
Base-Base interactions energy: -222.503
where: short stacking energy: -98.781
Base-Backbone interact. energy: -0.602
local terms energy: -96.782533
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -20.815
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: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -284.923701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.923701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.923701 (E_RNA)
where:
Base-Base interactions energy: -192.454
where: short stacking energy: -91.381
Base-Backbone interact. energy: -0.428
local terms energy: -92.041177
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -198.093115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.093115 (E_RNA)
where:
Base-Base interactions energy: -109.340
where: short stacking energy: -54.171
Base-Backbone interact. energy: -0.050
local terms energy: -88.703587
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -274.225809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.225809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.225809 (E_RNA)
where:
Base-Base interactions energy: -181.609
where: short stacking energy: -78.150
Base-Backbone interact. energy: 0.760
local terms energy: -93.377019
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -130.291808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.291808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.291808 (E_RNA)
where:
Base-Base interactions energy: -66.542
where: short stacking energy: -55.243
Base-Backbone interact. energy: -0.604
local terms energy: -63.146682
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -8.926
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: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -121.547872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.547872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.547872 (E_RNA)
where:
Base-Base interactions energy: -61.513
where: short stacking energy: -42.082
Base-Backbone interact. energy: -0.316
local terms energy: -59.718891
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -419.365317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.365317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.365317 (E_RNA)
where:
Base-Base interactions energy: -296.537
where: short stacking energy: -115.711
Base-Backbone interact. energy: -0.033
local terms energy: -122.794476
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -37.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -379.721092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.721092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.721092 (E_RNA)
where:
Base-Base interactions energy: -264.091
where: short stacking energy: -104.028
Base-Backbone interact. energy: 0.558
local terms energy: -116.188184
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -27.085
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: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -368.833795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.833795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.833795 (E_RNA)
where:
Base-Base interactions energy: -258.536
where: short stacking energy: -95.759
Base-Backbone interact. energy: -0.322
local terms energy: -109.975979
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -371.474471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.474471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.474471 (E_RNA)
where:
Base-Base interactions energy: -260.230
where: short stacking energy: -110.216
Base-Backbone interact. energy: -0.350
local terms energy: -110.894217
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -333.349387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.349387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.349387 (E_RNA)
where:
Base-Base interactions energy: -225.183
where: short stacking energy: -88.584
Base-Backbone interact. energy: -0.727
local terms energy: -107.439957
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -286.769885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.769885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.769885 (E_RNA)
where:
Base-Base interactions energy: -195.637
where: short stacking energy: -76.458
Base-Backbone interact. energy: 0.306
local terms energy: -91.438433
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -191.528617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.528617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.528617 (E_RNA)
where:
Base-Base interactions energy: -103.977
where: short stacking energy: -50.097
Base-Backbone interact. energy: -0.741
local terms energy: -86.810687
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -7.524
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: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -212.817024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.817024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.817024 (E_RNA)
where:
Base-Base interactions energy: -126.405
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.172
local terms energy: -86.239745
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -14.463
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: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -119.495194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.495194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.495194 (E_RNA)
where:
Base-Base interactions energy: -35.989
where: short stacking energy: -28.853
Base-Backbone interact. energy: 0.410
local terms energy: -83.915780
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -4.748
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: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -125.023838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.023838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.023838 (E_RNA)
where:
Base-Base interactions energy: -54.401
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.459
local terms energy: -70.164245
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -11.028
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: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -382.302315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.302315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.302315 (E_RNA)
where:
Base-Base interactions energy: -266.188
where: short stacking energy: -102.117
Base-Backbone interact. energy: -0.610
local terms energy: -115.504082
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -29.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -418.308535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.308535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.308535 (E_RNA)
where:
Base-Base interactions energy: -299.727
where: short stacking energy: -127.090
Base-Backbone interact. energy: -0.051
local terms energy: -118.530022
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -40.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -381.650313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.650313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.650313 (E_RNA)
where:
Base-Base interactions energy: -276.753
where: short stacking energy: -112.876
Base-Backbone interact. energy: -0.716
local terms energy: -104.181690
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -25.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -370.649444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.649444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.649444 (E_RNA)
where:
Base-Base interactions energy: -268.196
where: short stacking energy: -99.738
Base-Backbone interact. energy: -0.470
local terms energy: -101.982864
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -24.234
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: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -306.326398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.326398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.326398 (E_RNA)
where:
Base-Base interactions energy: -211.966
where: short stacking energy: -93.749
Base-Backbone interact. energy: -0.134
local terms energy: -94.225919
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -328.158260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.158260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.158260 (E_RNA)
where:
Base-Base interactions energy: -225.093
where: short stacking energy: -89.986
Base-Backbone interact. energy: -0.768
local terms energy: -102.296453
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -24.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -221.308503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.308503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.308503 (E_RNA)
where:
Base-Base interactions energy: -142.470
where: short stacking energy: -72.512
Base-Backbone interact. energy: -0.289
local terms energy: -78.548808
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -11.667
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: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -206.548346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548346 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -67.292
Base-Backbone interact. energy: -1.355
local terms energy: -72.697802
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -7.093
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: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -124.221562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.221562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.221562 (E_RNA)
where:
Base-Base interactions energy: -48.270
where: short stacking energy: -45.410
Base-Backbone interact. energy: 0.077
local terms energy: -76.028761
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -109.342897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.342897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.342897 (E_RNA)
where:
Base-Base interactions energy: -36.687
where: short stacking energy: -36.687
Base-Backbone interact. energy: -0.679
local terms energy: -71.976350
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -403.922366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.922366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.922366 (E_RNA)
where:
Base-Base interactions energy: -290.833
where: short stacking energy: -109.243
Base-Backbone interact. energy: 1.609
local terms energy: -114.698638
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -30.619
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: 449
Temperature: 0.950000
Total energy: -412.890237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.890237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.890237 (E_RNA)
where:
Base-Base interactions energy: -288.212
where: short stacking energy: -124.276
Base-Backbone interact. energy: -0.051
local terms energy: -124.627157
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -38.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -379.440523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.440523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.440523 (E_RNA)
where:
Base-Base interactions energy: -263.006
where: short stacking energy: -102.494
Base-Backbone interact. energy: -0.413
local terms energy: -116.021438
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -27.130
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -28.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -355.181968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.181968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.181968 (E_RNA)
where:
Base-Base interactions energy: -251.676
where: short stacking energy: -96.828
Base-Backbone interact. energy: -0.238
local terms energy: -103.267668
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -14.652
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: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -302.005927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.005927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.005927 (E_RNA)
where:
Base-Base interactions energy: -210.840
where: short stacking energy: -80.305
Base-Backbone interact. energy: 0.112
local terms energy: -91.277563
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -7.394
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: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -326.315300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.315300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.315300 (E_RNA)
where:
Base-Base interactions energy: -220.913
where: short stacking energy: -100.690
Base-Backbone interact. energy: -0.548
local terms energy: -104.854462
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -26.957
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: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -217.008478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.008478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.008478 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.366
local terms energy: -89.946351
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -196.827340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.827340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.827340 (E_RNA)
where:
Base-Base interactions energy: -119.345
where: short stacking energy: -58.036
Base-Backbone interact. energy: 0.083
local terms energy: -77.565221
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -112.046781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.046781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.046781 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -36.136
Base-Backbone interact. energy: 2.272
local terms energy: -76.967648
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -133.680808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.680808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.680808 (E_RNA)
where:
Base-Base interactions energy: -61.146
where: short stacking energy: -39.706
Base-Backbone interact. energy: -0.663
local terms energy: -71.871328
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -398.314786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.314786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.314786 (E_RNA)
where:
Base-Base interactions energy: -278.035
where: short stacking energy: -103.069
Base-Backbone interact. energy: 0.533
local terms energy: -120.812993
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -28.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -410.110369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.110369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.110369 (E_RNA)
where:
Base-Base interactions energy: -285.984
where: short stacking energy: -116.220
Base-Backbone interact. energy: -0.319
local terms energy: -123.806999
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -27.666
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -33.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -380.997551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.997551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.997551 (E_RNA)
where:
Base-Base interactions energy: -264.258
where: short stacking energy: -108.332
Base-Backbone interact. energy: -0.032
local terms energy: -116.707214
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -30.191
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: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -364.998358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.998358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.998358 (E_RNA)
where:
Base-Base interactions energy: -254.410
where: short stacking energy: -103.270
Base-Backbone interact. energy: -0.303
local terms energy: -110.285446
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -25.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -330.876346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.876346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.876346 (E_RNA)
where:
Base-Base interactions energy: -233.391
where: short stacking energy: -99.753
Base-Backbone interact. energy: 0.139
local terms energy: -97.624335
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -23.630
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: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -304.185208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.185208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.185208 (E_RNA)
where:
Base-Base interactions energy: -205.936
where: short stacking energy: -80.969
Base-Backbone interact. energy: -0.144
local terms energy: -98.105810
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -215.227091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.227091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.227091 (E_RNA)
where:
Base-Base interactions energy: -127.316
where: short stacking energy: -70.953
Base-Backbone interact. energy: -1.672
local terms energy: -86.238811
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -186.615309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.615309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.615309 (E_RNA)
where:
Base-Base interactions energy: -107.821
where: short stacking energy: -62.183
Base-Backbone interact. energy: -1.068
local terms energy: -77.727052
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -130.461277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.461277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.461277 (E_RNA)
where:
Base-Base interactions energy: -50.012
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.357
local terms energy: -80.092141
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -5.685
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: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -102.692737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.692737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.692737 (E_RNA)
where:
Base-Base interactions energy: -24.324
where: short stacking energy: -22.823
Base-Backbone interact. energy: 1.076
local terms energy: -79.444421
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: 1.879
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: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -385.188785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.188785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.188785 (E_RNA)
where:
Base-Base interactions energy: -270.858
where: short stacking energy: -104.313
Base-Backbone interact. energy: -0.220
local terms energy: -114.110784
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -31.371
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: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -411.014033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.014033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.014033 (E_RNA)
where:
Base-Base interactions energy: -286.693
where: short stacking energy: -122.309
Base-Backbone interact. energy: -0.001
local terms energy: -124.320452
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -32.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -369.117962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.117962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.117962 (E_RNA)
where:
Base-Base interactions energy: -266.521
where: short stacking energy: -104.452
Base-Backbone interact. energy: -1.379
local terms energy: -101.218119
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -353.466826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.466826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.466826 (E_RNA)
where:
Base-Base interactions energy: -244.956
where: short stacking energy: -103.477
Base-Backbone interact. energy: -0.413
local terms energy: -108.097433
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -25.994
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -27.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -355.937703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.937703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.937703 (E_RNA)
where:
Base-Base interactions energy: -242.455
where: short stacking energy: -100.535
Base-Backbone interact. energy: -0.539
local terms energy: -112.944234
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -30.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -327.576399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.576399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.576399 (E_RNA)
where:
Base-Base interactions energy: -223.563
where: short stacking energy: -89.384
Base-Backbone interact. energy: 1.102
local terms energy: -105.115216
where:
bonds (distance) C4'-P energy: -27.022
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -20.489
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: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -236.790067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.790067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.790067 (E_RNA)
where:
Base-Base interactions energy: -155.417
where: short stacking energy: -79.930
Base-Backbone interact. energy: -0.265
local terms energy: -81.108546
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -22.037
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: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -208.224227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.224227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.224227 (E_RNA)
where:
Base-Base interactions energy: -122.775
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.321
local terms energy: -85.127666
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -8.657
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: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -114.912900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.912900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.912900 (E_RNA)
where:
Base-Base interactions energy: -52.160
where: short stacking energy: -34.134
Base-Backbone interact. energy: -0.409
local terms energy: -62.343826
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -0.900
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: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -116.944410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.944410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.944410 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -45.159
Base-Backbone interact. energy: -0.013
local terms energy: -71.772089
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -421.543093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.543093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.543093 (E_RNA)
where:
Base-Base interactions energy: -301.218
where: short stacking energy: -117.514
Base-Backbone interact. energy: -0.283
local terms energy: -120.042399
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -36.850
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: 452
Temperature: 0.950000
Total energy: -379.242257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.242257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.242257 (E_RNA)
where:
Base-Base interactions energy: -262.699
where: short stacking energy: -106.086
Base-Backbone interact. energy: -0.426
local terms energy: -116.117604
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -27.098
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: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -393.133223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.133223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.133223 (E_RNA)
where:
Base-Base interactions energy: -274.604
where: short stacking energy: -109.781
Base-Backbone interact. energy: -0.555
local terms energy: -117.974605
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -30.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -363.670483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.670483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.670483 (E_RNA)
where:
Base-Base interactions energy: -256.222
where: short stacking energy: -103.957
Base-Backbone interact. energy: 0.592
local terms energy: -108.039833
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -335.032505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.032505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.032505 (E_RNA)
where:
Base-Base interactions energy: -224.224
where: short stacking energy: -89.429
Base-Backbone interact. energy: -1.819
local terms energy: -108.989692
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -23.222
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: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -309.831405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.831405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.831405 (E_RNA)
where:
Base-Base interactions energy: -210.781
where: short stacking energy: -101.758
Base-Backbone interact. energy: 1.045
local terms energy: -100.094982
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -243.569059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.569059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.569059 (E_RNA)
where:
Base-Base interactions energy: -138.730
where: short stacking energy: -86.471
Base-Backbone interact. energy: -0.014
local terms energy: -104.825475
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -194.695219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.695219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.695219 (E_RNA)
where:
Base-Base interactions energy: -103.327
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.232
local terms energy: -91.136289
where:
bonds (distance) C4'-P energy: -25.149
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -126.001431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.001431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.001431 (E_RNA)
where:
Base-Base interactions energy: -58.885
where: short stacking energy: -31.913
Base-Backbone interact. energy: -0.119
local terms energy: -66.997442
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -132.415939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.415939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.415939 (E_RNA)
where:
Base-Base interactions energy: -50.314
where: short stacking energy: -50.053
Base-Backbone interact. energy: -0.168
local terms energy: -81.933294
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -413.593135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.593135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.593135 (E_RNA)
where:
Base-Base interactions energy: -282.834
where: short stacking energy: -114.300
Base-Backbone interact. energy: -0.631
local terms energy: -130.127710
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -38.592
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: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -396.025296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.025296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.025296 (E_RNA)
where:
Base-Base interactions energy: -271.076
where: short stacking energy: -106.405
Base-Backbone interact. energy: -0.699
local terms energy: -124.249821
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -23.723
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -31.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -385.958101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.958101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.958101 (E_RNA)
where:
Base-Base interactions energy: -267.984
where: short stacking energy: -104.954
Base-Backbone interact. energy: 0.806
local terms energy: -118.780884
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -28.612
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: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -372.164832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.164832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.164832 (E_RNA)
where:
Base-Base interactions energy: -265.063
where: short stacking energy: -111.652
Base-Backbone interact. energy: -0.386
local terms energy: -106.715735
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -328.884629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.884629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.884629 (E_RNA)
where:
Base-Base interactions energy: -209.767
where: short stacking energy: -92.637
Base-Backbone interact. energy: -0.328
local terms energy: -118.789841
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -307.078906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.078906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.078906 (E_RNA)
where:
Base-Base interactions energy: -206.647
where: short stacking energy: -82.356
Base-Backbone interact. energy: -0.791
local terms energy: -99.640867
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -227.099295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.099295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.099295 (E_RNA)
where:
Base-Base interactions energy: -140.675
where: short stacking energy: -86.154
Base-Backbone interact. energy: -0.088
local terms energy: -86.336011
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -137.946307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.946307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.946307 (E_RNA)
where:
Base-Base interactions energy: -62.641
where: short stacking energy: -46.750
Base-Backbone interact. energy: -0.929
local terms energy: -74.375965
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -213.341615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.341615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.341615 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -69.318
Base-Backbone interact. energy: -0.066
local terms energy: -86.130345
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -132.684323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.684323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.684323 (E_RNA)
where:
Base-Base interactions energy: -67.294
where: short stacking energy: -38.029
Base-Backbone interact. energy: 0.113
local terms energy: -65.503231
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -4.302
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: 0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -396.355709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.355709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.355709 (E_RNA)
where:
Base-Base interactions energy: -278.709
where: short stacking energy: -108.461
Base-Backbone interact. energy: -0.531
local terms energy: -117.115632
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -29.007
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: 454
Temperature: 0.950000
Total energy: -409.034253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.034253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.034253 (E_RNA)
where:
Base-Base interactions energy: -294.729
where: short stacking energy: -115.384
Base-Backbone interact. energy: -0.043
local terms energy: -114.261912
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -35.058
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: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -379.809072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.809072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.809072 (E_RNA)
where:
Base-Base interactions energy: -265.633
where: short stacking energy: -108.831
Base-Backbone interact. energy: -0.805
local terms energy: -113.371530
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -32.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -363.745860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.745860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.745860 (E_RNA)
where:
Base-Base interactions energy: -247.149
where: short stacking energy: -93.565
Base-Backbone interact. energy: -0.608
local terms energy: -115.988983
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -23.886
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: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -326.300120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.300120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.300120 (E_RNA)
where:
Base-Base interactions energy: -219.461
where: short stacking energy: -95.129
Base-Backbone interact. energy: -0.610
local terms energy: -106.229186
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -332.706224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.706224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.706224 (E_RNA)
where:
Base-Base interactions energy: -229.783
where: short stacking energy: -100.937
Base-Backbone interact. energy: -0.789
local terms energy: -102.134359
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -222.454824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.454824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.454824 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.064
local terms energy: -91.318753
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -135.803600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.803600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.803600 (E_RNA)
where:
Base-Base interactions energy: -68.291
where: short stacking energy: -55.643
Base-Backbone interact. energy: -0.135
local terms energy: -67.376921
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -3.581
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: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -174.700124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.700124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.700124 (E_RNA)
where:
Base-Base interactions energy: -88.085
where: short stacking energy: -53.126
Base-Backbone interact. energy: -1.670
local terms energy: -84.944932
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -141.364906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.364906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.364906 (E_RNA)
where:
Base-Base interactions energy: -68.768
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.757
local terms energy: -71.838997
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -406.134913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.134913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.134913 (E_RNA)
where:
Base-Base interactions energy: -283.700
where: short stacking energy: -110.836
Base-Backbone interact. energy: -1.443
local terms energy: -120.992180
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -407.027723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.027723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.027723 (E_RNA)
where:
Base-Base interactions energy: -287.835
where: short stacking energy: -125.806
Base-Backbone interact. energy: -0.010
local terms energy: -119.183344
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -33.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -385.244399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.244399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.244399 (E_RNA)
where:
Base-Base interactions energy: -277.529
where: short stacking energy: -106.628
Base-Backbone interact. energy: 0.322
local terms energy: -108.037571
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -31.561
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: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -357.842619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.842619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.842619 (E_RNA)
where:
Base-Base interactions energy: -255.024
where: short stacking energy: -103.825
Base-Backbone interact. energy: 0.035
local terms energy: -102.853577
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -310.756838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.756838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.756838 (E_RNA)
where:
Base-Base interactions energy: -202.247
where: short stacking energy: -73.453
Base-Backbone interact. energy: 0.436
local terms energy: -108.946295
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -25.450
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: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -348.083998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.083998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.083998 (E_RNA)
where:
Base-Base interactions energy: -237.429
where: short stacking energy: -99.453
Base-Backbone interact. energy: -0.844
local terms energy: -109.811292
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -28.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -192.697342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.697342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.697342 (E_RNA)
where:
Base-Base interactions energy: -107.364
where: short stacking energy: -57.972
Base-Backbone interact. energy: -1.716
local terms energy: -83.618083
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -208.109847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.109847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.109847 (E_RNA)
where:
Base-Base interactions energy: -126.517
where: short stacking energy: -46.542
Base-Backbone interact. energy: -0.472
local terms energy: -81.120913
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -116.358411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.358411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.358411 (E_RNA)
where:
Base-Base interactions energy: -51.570
where: short stacking energy: -23.416
Base-Backbone interact. energy: -0.597
local terms energy: -64.191367
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -4.559
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: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -138.855927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.855927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.855927 (E_RNA)
where:
Base-Base interactions energy: -59.925
where: short stacking energy: -31.098
Base-Backbone interact. energy: -0.733
local terms energy: -78.197607
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -418.645625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.645625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.645625 (E_RNA)
where:
Base-Base interactions energy: -297.107
where: short stacking energy: -118.847
Base-Backbone interact. energy: -0.093
local terms energy: -121.445542
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -35.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -396.125643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.125643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.125643 (E_RNA)
where:
Base-Base interactions energy: -280.623
where: short stacking energy: -106.554
Base-Backbone interact. energy: 1.190
local terms energy: -116.692122
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -28.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -361.933016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.933016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.933016 (E_RNA)
where:
Base-Base interactions energy: -255.477
where: short stacking energy: -100.180
Base-Backbone interact. energy: -0.228
local terms energy: -106.228018
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -369.780841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.780841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.780841 (E_RNA)
where:
Base-Base interactions energy: -267.070
where: short stacking energy: -107.694
Base-Backbone interact. energy: -0.821
local terms energy: -101.889356
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -349.054248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.054248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.054248 (E_RNA)
where:
Base-Base interactions energy: -236.084
where: short stacking energy: -101.251
Base-Backbone interact. energy: -0.649
local terms energy: -112.321800
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -28.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -293.673272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.673272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.673272 (E_RNA)
where:
Base-Base interactions energy: -185.614
where: short stacking energy: -80.522
Base-Backbone interact. energy: -0.353
local terms energy: -107.706695
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -225.746579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.746579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.746579 (E_RNA)
where:
Base-Base interactions energy: -143.088
where: short stacking energy: -59.693
Base-Backbone interact. energy: 0.382
local terms energy: -83.040188
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -12.426
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: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -183.255846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.255846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.255846 (E_RNA)
where:
Base-Base interactions energy: -103.584
where: short stacking energy: -52.859
Base-Backbone interact. energy: -0.523
local terms energy: -79.149280
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -106.414591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.414591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.414591 (E_RNA)
where:
Base-Base interactions energy: -39.315
where: short stacking energy: -34.500
Base-Backbone interact. energy: -0.862
local terms energy: -66.237441
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: 3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -118.426877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.426877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.426877 (E_RNA)
where:
Base-Base interactions energy: -54.695
where: short stacking energy: -42.155
Base-Backbone interact. energy: -0.426
local terms energy: -63.306460
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -421.857197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.857197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.857197 (E_RNA)
where:
Base-Base interactions energy: -300.922
where: short stacking energy: -116.020
Base-Backbone interact. energy: -0.031
local terms energy: -120.903747
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -35.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -395.822072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.822072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.822072 (E_RNA)
where:
Base-Base interactions energy: -277.131
where: short stacking energy: -103.126
Base-Backbone interact. energy: -0.330
local terms energy: -118.361065
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -26.546
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: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -367.173737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.173737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.173737 (E_RNA)
where:
Base-Base interactions energy: -261.582
where: short stacking energy: -100.352
Base-Backbone interact. energy: -0.141
local terms energy: -105.450696
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -26.660
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: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -388.748585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.748585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.748585 (E_RNA)
where:
Base-Base interactions energy: -265.199
where: short stacking energy: -108.163
Base-Backbone interact. energy: -0.272
local terms energy: -123.277274
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -28.030
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -31.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -323.541535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.541535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.541535 (E_RNA)
where:
Base-Base interactions energy: -218.989
where: short stacking energy: -89.757
Base-Backbone interact. energy: -0.392
local terms energy: -104.161231
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -13.798
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: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -246.395517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.395517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.395517 (E_RNA)
where:
Base-Base interactions energy: -149.656
where: short stacking energy: -86.618
Base-Backbone interact. energy: -0.162
local terms energy: -96.578370
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -297.668272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.668272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.668272 (E_RNA)
where:
Base-Base interactions energy: -207.483
where: short stacking energy: -92.560
Base-Backbone interact. energy: -0.052
local terms energy: -90.133509
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -23.697
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: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -223.829233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.829233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.829233 (E_RNA)
where:
Base-Base interactions energy: -141.360
where: short stacking energy: -66.113
Base-Backbone interact. energy: -1.531
local terms energy: -80.938668
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -116.965466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.965466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.965466 (E_RNA)
where:
Base-Base interactions energy: -40.395
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.005
local terms energy: -76.565576
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -3.280
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: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -128.265823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.265823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.265823 (E_RNA)
where:
Base-Base interactions energy: -67.062
where: short stacking energy: -34.267
Base-Backbone interact. energy: -0.406
local terms energy: -60.798293
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -27.534
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -2.304
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -400.160400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.160400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.160400 (E_RNA)
where:
Base-Base interactions energy: -277.029
where: short stacking energy: -102.686
Base-Backbone interact. energy: -0.555
local terms energy: -122.576559
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -27.706
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -27.885
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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -402.033627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.033627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.033627 (E_RNA)
where:
Base-Base interactions energy: -294.149
where: short stacking energy: -124.162
Base-Backbone interact. energy: -0.009
local terms energy: -107.875243
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -33.304
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: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -370.128007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.128007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.128007 (E_RNA)
where:
Base-Base interactions energy: -269.344
where: short stacking energy: -99.496
Base-Backbone interact. energy: -0.351
local terms energy: -100.432385
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -368.851916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.851916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.851916 (E_RNA)
where:
Base-Base interactions energy: -264.088
where: short stacking energy: -104.822
Base-Backbone interact. energy: 1.692
local terms energy: -106.456409
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -29.472
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: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -325.533502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.533502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.533502 (E_RNA)
where:
Base-Base interactions energy: -218.195
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.547
local terms energy: -106.791298
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -24.953
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: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -258.637792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.637792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.637792 (E_RNA)
where:
Base-Base interactions energy: -164.245
where: short stacking energy: -78.104
Base-Backbone interact. energy: -0.108
local terms energy: -94.284401
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -290.888063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.888063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.888063 (E_RNA)
where:
Base-Base interactions energy: -195.294
where: short stacking energy: -77.449
Base-Backbone interact. energy: 0.123
local terms energy: -95.716393
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -218.033715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.033715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.033715 (E_RNA)
where:
Base-Base interactions energy: -130.743
where: short stacking energy: -55.798
Base-Backbone interact. energy: -1.139
local terms energy: -86.151738
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -11.369
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: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -145.495160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.495160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.495160 (E_RNA)
where:
Base-Base interactions energy: -70.241
where: short stacking energy: -41.330
Base-Backbone interact. energy: 2.729
local terms energy: -77.982759
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -114.538155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.538155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.538155 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -28.549
Base-Backbone interact. energy: 0.494
local terms energy: -76.371288
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -18.631
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -403.582587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.582587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.582587 (E_RNA)
where:
Base-Base interactions energy: -287.645
where: short stacking energy: -109.688
Base-Backbone interact. energy: -0.474
local terms energy: -115.463432
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -422.552407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.552407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.552407 (E_RNA)
where:
Base-Base interactions energy: -293.864
where: short stacking energy: -119.633
Base-Backbone interact. energy: -1.527
local terms energy: -127.160730
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -38.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -372.086455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.086455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.086455 (E_RNA)
where:
Base-Base interactions energy: -256.413
where: short stacking energy: -109.229
Base-Backbone interact. energy: -0.794
local terms energy: -114.879526
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -349.584279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.584279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.584279 (E_RNA)
where:
Base-Base interactions energy: -245.852
where: short stacking energy: -95.504
Base-Backbone interact. energy: -0.494
local terms energy: -103.238287
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -23.657
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: 459
Temperature: 1.100000
Total energy: -325.688603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.688603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.688603 (E_RNA)
where:
Base-Base interactions energy: -220.339
where: short stacking energy: -91.534
Base-Backbone interact. energy: -0.809
local terms energy: -104.540295
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -24.837
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: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -298.212139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.212139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.212139 (E_RNA)
where:
Base-Base interactions energy: -193.125
where: short stacking energy: -87.436
Base-Backbone interact. energy: -0.773
local terms energy: -104.314217
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -240.341011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.341011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.341011 (E_RNA)
where:
Base-Base interactions energy: -152.507
where: short stacking energy: -67.597
Base-Backbone interact. energy: -1.066
local terms energy: -86.767615
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -13.152
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: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -209.515217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.515217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.515217 (E_RNA)
where:
Base-Base interactions energy: -136.291
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.314
local terms energy: -72.910768
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -116.280070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.280070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.280070 (E_RNA)
where:
Base-Base interactions energy: -54.035
where: short stacking energy: -41.883
Base-Backbone interact. energy: 1.108
local terms energy: -63.353107
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -12.208
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: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -138.478752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.478752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.478752 (E_RNA)
where:
Base-Base interactions energy: -75.672
where: short stacking energy: -42.606
Base-Backbone interact. energy: 0.239
local terms energy: -63.045885
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -423.933224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.933224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.933224 (E_RNA)
where:
Base-Base interactions energy: -297.647
where: short stacking energy: -115.574
Base-Backbone interact. energy: -0.046
local terms energy: -126.240904
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -38.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -403.914234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.914234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.914234 (E_RNA)
where:
Base-Base interactions energy: -280.705
where: short stacking energy: -115.872
Base-Backbone interact. energy: -0.343
local terms energy: -122.866362
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -31.481
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: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -371.887183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.887183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.887183 (E_RNA)
where:
Base-Base interactions energy: -266.071
where: short stacking energy: -110.303
Base-Backbone interact. energy: 0.590
local terms energy: -106.406662
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -29.892
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: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -374.257273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.257273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.257273 (E_RNA)
where:
Base-Base interactions energy: -270.832
where: short stacking energy: -108.361
Base-Backbone interact. energy: 0.689
local terms energy: -104.113831
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -27.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -329.041368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.041368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.041368 (E_RNA)
where:
Base-Base interactions energy: -229.045
where: short stacking energy: -98.553
Base-Backbone interact. energy: -0.638
local terms energy: -99.358300
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -29.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -323.688625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.688625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.688625 (E_RNA)
where:
Base-Base interactions energy: -224.796
where: short stacking energy: -89.692
Base-Backbone interact. energy: -0.630
local terms energy: -98.262648
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -13.227
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: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -273.072319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.072319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.072319 (E_RNA)
where:
Base-Base interactions energy: -176.125
where: short stacking energy: -75.163
Base-Backbone interact. energy: -0.755
local terms energy: -96.192677
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -11.718
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: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -194.411772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.411772 (E_RNA)
where:
Base-Base interactions energy: -102.215
where: short stacking energy: -62.051
Base-Backbone interact. energy: -0.236
local terms energy: -91.961016
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -8.764
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: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -115.133500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.133500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.133500 (E_RNA)
where:
Base-Base interactions energy: -43.085
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.057
local terms energy: -71.991378
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -13.237
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: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -104.372559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.372559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.372559 (E_RNA)
where:
Base-Base interactions energy: -36.289
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.546
local terms energy: -67.537909
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -421.920453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.920453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.920453 (E_RNA)
where:
Base-Base interactions energy: -301.686
where: short stacking energy: -125.027
Base-Backbone interact. energy: -0.001
local terms energy: -120.233961
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -34.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -391.592383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.592383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.592383 (E_RNA)
where:
Base-Base interactions energy: -278.859
where: short stacking energy: -106.177
Base-Backbone interact. energy: -0.364
local terms energy: -112.369348
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -30.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -370.647974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.647974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.647974 (E_RNA)
where:
Base-Base interactions energy: -267.305
where: short stacking energy: -102.344
Base-Backbone interact. energy: -0.565
local terms energy: -102.778726
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -26.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -329.829607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.829607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.829607 (E_RNA)
where:
Base-Base interactions energy: -228.192
where: short stacking energy: -95.725
Base-Backbone interact. energy: -0.120
local terms energy: -101.517815
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -365.360870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.360870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.360870 (E_RNA)
where:
Base-Base interactions energy: -255.316
where: short stacking energy: -95.729
Base-Backbone interact. energy: -0.564
local terms energy: -109.480911
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -314.772818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.772818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.772818 (E_RNA)
where:
Base-Base interactions energy: -214.996
where: short stacking energy: -91.138
Base-Backbone interact. energy: -1.982
local terms energy: -97.794887
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -218.054197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.054197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.054197 (E_RNA)
where:
Base-Base interactions energy: -131.753
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.092
local terms energy: -86.209141
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -200.315773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.315773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.315773 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -69.845
Base-Backbone interact. energy: -0.947
local terms energy: -70.190352
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -169.357917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.357917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.357917 (E_RNA)
where:
Base-Base interactions energy: -100.569
where: short stacking energy: -55.485
Base-Backbone interact. energy: -1.268
local terms energy: -67.521052
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -6.061
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: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -123.471950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.471950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.471950 (E_RNA)
where:
Base-Base interactions energy: -52.382
where: short stacking energy: -48.012
Base-Backbone interact. energy: -0.275
local terms energy: -70.815424
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -402.531554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.531554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.531554 (E_RNA)
where:
Base-Base interactions energy: -281.911
where: short stacking energy: -107.874
Base-Backbone interact. energy: -0.510
local terms energy: -120.111329
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -32.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -404.144057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.144057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.144057 (E_RNA)
where:
Base-Base interactions energy: -288.356
where: short stacking energy: -122.103
Base-Backbone interact. energy: -0.005
local terms energy: -115.782972
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -36.363
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: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -377.946508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.946508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.946508 (E_RNA)
where:
Base-Base interactions energy: -263.931
where: short stacking energy: -109.330
Base-Backbone interact. energy: -0.572
local terms energy: -113.443182
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -327.683806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.683806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.683806 (E_RNA)
where:
Base-Base interactions energy: -220.407
where: short stacking energy: -100.902
Base-Backbone interact. energy: -0.624
local terms energy: -106.652933
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -32.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -351.259985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.259985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.259985 (E_RNA)
where:
Base-Base interactions energy: -249.234
where: short stacking energy: -103.385
Base-Backbone interact. energy: -1.134
local terms energy: -100.891858
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -23.265
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: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -321.862119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.862119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.862119 (E_RNA)
where:
Base-Base interactions energy: -206.582
where: short stacking energy: -83.355
Base-Backbone interact. energy: -0.837
local terms energy: -114.442791
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -23.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -204.621512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.621512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.621512 (E_RNA)
where:
Base-Base interactions energy: -115.657
where: short stacking energy: -57.069
Base-Backbone interact. energy: -0.113
local terms energy: -88.852016
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -177.592410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.592410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.592410 (E_RNA)
where:
Base-Base interactions energy: -97.943
where: short stacking energy: -50.305
Base-Backbone interact. energy: -0.613
local terms energy: -79.036996
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -167.637965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.637965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.637965 (E_RNA)
where:
Base-Base interactions energy: -89.910
where: short stacking energy: -64.849
Base-Backbone interact. energy: 0.229
local terms energy: -77.956324
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -6.536
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: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -134.107024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.107024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.107024 (E_RNA)
where:
Base-Base interactions energy: -64.225
where: short stacking energy: -34.950
Base-Backbone interact. energy: -0.254
local terms energy: -69.628409
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -398.274871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.274871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.274871 (E_RNA)
where:
Base-Base interactions energy: -274.262
where: short stacking energy: -103.835
Base-Backbone interact. energy: -0.421
local terms energy: -123.591155
where:
bonds (distance) C4'-P energy: -22.789
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -31.327
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: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -407.454508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.454508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.454508 (E_RNA)
where:
Base-Base interactions energy: -275.839
where: short stacking energy: -117.124
Base-Backbone interact. energy: 0.034
local terms energy: -131.648972
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -28.507
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -37.976
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: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -371.984847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.984847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.984847 (E_RNA)
where:
Base-Base interactions energy: -268.817
where: short stacking energy: -108.265
Base-Backbone interact. energy: -0.484
local terms energy: -102.684267
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -26.927
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: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -359.227143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.227143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.227143 (E_RNA)
where:
Base-Base interactions energy: -261.406
where: short stacking energy: -95.306
Base-Backbone interact. energy: -0.746
local terms energy: -97.074991
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -337.202626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.202626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.202626 (E_RNA)
where:
Base-Base interactions energy: -230.542
where: short stacking energy: -97.292
Base-Backbone interact. energy: -0.852
local terms energy: -105.808542
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -23.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -309.487810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.487810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.487810 (E_RNA)
where:
Base-Base interactions energy: -203.289
where: short stacking energy: -89.659
Base-Backbone interact. energy: 1.173
local terms energy: -107.371642
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -23.947
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: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -243.429112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.429112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.429112 (E_RNA)
where:
Base-Base interactions energy: -155.834
where: short stacking energy: -68.627
Base-Backbone interact. energy: 0.440
local terms energy: -88.034559
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -165.068972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.068972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.068972 (E_RNA)
where:
Base-Base interactions energy: -84.466
where: short stacking energy: -50.196
Base-Backbone interact. energy: 0.894
local terms energy: -81.497244
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -180.995806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.995806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.995806 (E_RNA)
where:
Base-Base interactions energy: -106.612
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.035
local terms energy: -74.349160
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -117.834286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.834286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.834286 (E_RNA)
where:
Base-Base interactions energy: -41.860
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.485
local terms energy: -75.490156
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -413.264456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.264456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.264456 (E_RNA)
where:
Base-Base interactions energy: -282.346
where: short stacking energy: -115.117
Base-Backbone interact. energy: -0.050
local terms energy: -130.868231
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -38.307
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: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -393.159627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.159627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.159627 (E_RNA)
where:
Base-Base interactions energy: -279.996
where: short stacking energy: -108.699
Base-Backbone interact. energy: -0.679
local terms energy: -112.484869
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -364.588626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.588626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.588626 (E_RNA)
where:
Base-Base interactions energy: -253.701
where: short stacking energy: -94.619
Base-Backbone interact. energy: -0.234
local terms energy: -110.653337
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -378.605704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.605704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.605704 (E_RNA)
where:
Base-Base interactions energy: -270.243
where: short stacking energy: -110.327
Base-Backbone interact. energy: -0.408
local terms energy: -107.954867
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -29.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -319.862623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.862623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.862623 (E_RNA)
where:
Base-Base interactions energy: -219.009
where: short stacking energy: -91.666
Base-Backbone interact. energy: -0.642
local terms energy: -100.211343
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -21.817
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: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -324.368826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.368826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.368826 (E_RNA)
where:
Base-Base interactions energy: -227.923
where: short stacking energy: -93.909
Base-Backbone interact. energy: 1.269
local terms energy: -97.715390
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -9.790
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: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -230.913268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.913268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.913268 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -67.294
Base-Backbone interact. energy: 0.550
local terms energy: -90.761989
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -10.665
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: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -165.724023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.724023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.724023 (E_RNA)
where:
Base-Base interactions energy: -97.926
where: short stacking energy: -41.758
Base-Backbone interact. energy: -1.241
local terms energy: -66.557792
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -178.460890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.460890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.460890 (E_RNA)
where:
Base-Base interactions energy: -96.201
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.075
local terms energy: -82.184498
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -16.668
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: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -124.604842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.604842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.604842 (E_RNA)
where:
Base-Base interactions energy: -39.073
where: short stacking energy: -38.018
Base-Backbone interact. energy: 0.338
local terms energy: -85.869936
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -406.244350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.244350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.244350 (E_RNA)
where:
Base-Base interactions energy: -283.032
where: short stacking energy: -114.486
Base-Backbone interact. energy: -0.045
local terms energy: -123.167116
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -36.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -402.272113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.272113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.272113 (E_RNA)
where:
Base-Base interactions energy: -276.518
where: short stacking energy: -110.670
Base-Backbone interact. energy: -0.292
local terms energy: -125.462912
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -32.914
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: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -375.393864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.393864 (E_RNA)
where:
Base-Base interactions energy: -262.458
where: short stacking energy: -107.503
Base-Backbone interact. energy: -0.264
local terms energy: -112.672506
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -30.492
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: 465
Temperature: 1.050000
Total energy: -359.277807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.277807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.277807 (E_RNA)
where:
Base-Base interactions energy: -256.069
where: short stacking energy: -96.835
Base-Backbone interact. energy: -1.189
local terms energy: -102.020559
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -314.623112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.623112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.623112 (E_RNA)
where:
Base-Base interactions energy: -221.601
where: short stacking energy: -92.548
Base-Backbone interact. energy: -0.944
local terms energy: -92.078436
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -310.427774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.427774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.427774 (E_RNA)
where:
Base-Base interactions energy: -221.830
where: short stacking energy: -85.574
Base-Backbone interact. energy: -0.207
local terms energy: -88.390514
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -240.594968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.594968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.594968 (E_RNA)
where:
Base-Base interactions energy: -151.090
where: short stacking energy: -76.811
Base-Backbone interact. energy: -0.202
local terms energy: -89.303191
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -24.252
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -187.151994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.151994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.151994 (E_RNA)
where:
Base-Base interactions energy: -95.083
where: short stacking energy: -50.227
Base-Backbone interact. energy: -0.113
local terms energy: -91.955815
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -26.847
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -119.319670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.319670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.319670 (E_RNA)
where:
Base-Base interactions energy: -52.765
where: short stacking energy: -39.477
Base-Backbone interact. energy: 0.138
local terms energy: -66.693215
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -8.872
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -116.619870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.619870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.619870 (E_RNA)
where:
Base-Base interactions energy: -43.885
where: short stacking energy: -34.632
Base-Backbone interact. energy: -0.612
local terms energy: -72.122879
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: 2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -421.230757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.230757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.230757 (E_RNA)
where:
Base-Base interactions energy: -293.997
where: short stacking energy: -123.157
Base-Backbone interact. energy: -0.081
local terms energy: -127.152742
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -39.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -400.957122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.957122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.957122 (E_RNA)
where:
Base-Base interactions energy: -285.441
where: short stacking energy: -107.206
Base-Backbone interact. energy: -0.172
local terms energy: -115.343657
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -32.039
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: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -363.895662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.895662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.895662 (E_RNA)
where:
Base-Base interactions energy: -260.513
where: short stacking energy: -93.860
Base-Backbone interact. energy: 0.645
local terms energy: -104.027396
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -26.651
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: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -369.788015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.788015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.788015 (E_RNA)
where:
Base-Base interactions energy: -257.878
where: short stacking energy: -104.940
Base-Backbone interact. energy: -0.147
local terms energy: -111.763081
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -25.024
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: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -315.455870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.455870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.455870 (E_RNA)
where:
Base-Base interactions energy: -213.703
where: short stacking energy: -87.492
Base-Backbone interact. energy: 0.401
local terms energy: -102.153861
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -289.359602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.359602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.359602 (E_RNA)
where:
Base-Base interactions energy: -198.641
where: short stacking energy: -80.682
Base-Backbone interact. energy: 1.031
local terms energy: -91.749108
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -237.172771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.172771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.172771 (E_RNA)
where:
Base-Base interactions energy: -153.345
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.691
local terms energy: -83.136809
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -178.719058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.719058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.719058 (E_RNA)
where:
Base-Base interactions energy: -102.987
where: short stacking energy: -49.834
Base-Backbone interact. energy: 0.037
local terms energy: -75.768557
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -4.904
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: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -113.580554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.580554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.580554 (E_RNA)
where:
Base-Base interactions energy: -40.449
where: short stacking energy: -28.156
Base-Backbone interact. energy: 0.432
local terms energy: -73.563346
where:
bonds (distance) C4'-P energy: -23.305
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -0.283
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: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -115.264747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.264747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.264747 (E_RNA)
where:
Base-Base interactions energy: -40.191
where: short stacking energy: -21.601
Base-Backbone interact. energy: -0.676
local terms energy: -74.397112
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: 5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -423.611085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.611085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.611085 (E_RNA)
where:
Base-Base interactions energy: -293.195
where: short stacking energy: -118.665
Base-Backbone interact. energy: -0.003
local terms energy: -130.412293
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -37.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -392.998845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.998845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.998845 (E_RNA)
where:
Base-Base interactions energy: -270.338
where: short stacking energy: -104.596
Base-Backbone interact. energy: -0.919
local terms energy: -121.741726
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -364.259746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.259746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.259746 (E_RNA)
where:
Base-Base interactions energy: -258.878
where: short stacking energy: -105.105
Base-Backbone interact. energy: -0.937
local terms energy: -104.444761
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -27.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -381.469608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.469608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.469608 (E_RNA)
where:
Base-Base interactions energy: -263.680
where: short stacking energy: -104.947
Base-Backbone interact. energy: -0.873
local terms energy: -116.916500
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -25.473
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: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -319.579748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.579748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.579748 (E_RNA)
where:
Base-Base interactions energy: -221.163
where: short stacking energy: -99.171
Base-Backbone interact. energy: -0.326
local terms energy: -98.090461
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -28.007
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: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -303.077665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.077665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.077665 (E_RNA)
where:
Base-Base interactions energy: -204.183
where: short stacking energy: -88.918
Base-Backbone interact. energy: -0.631
local terms energy: -98.264050
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -21.305
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: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -254.009080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.009080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.009080 (E_RNA)
where:
Base-Base interactions energy: -155.668
where: short stacking energy: -71.290
Base-Backbone interact. energy: -0.473
local terms energy: -97.867563
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -187.201176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.201176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.201176 (E_RNA)
where:
Base-Base interactions energy: -111.878
where: short stacking energy: -66.185
Base-Backbone interact. energy: -0.525
local terms energy: -74.798209
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -123.526241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.526241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.526241 (E_RNA)
where:
Base-Base interactions energy: -45.225
where: short stacking energy: -42.199
Base-Backbone interact. energy: -1.125
local terms energy: -77.176525
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -119.151756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.151756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.151756 (E_RNA)
where:
Base-Base interactions energy: -49.961
where: short stacking energy: -32.246
Base-Backbone interact. energy: -0.297
local terms energy: -68.894206
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -397.351457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.351457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.351457 (E_RNA)
where:
Base-Base interactions energy: -278.403
where: short stacking energy: -106.508
Base-Backbone interact. energy: -1.036
local terms energy: -117.911958
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -399.443712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.443712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.443712 (E_RNA)
where:
Base-Base interactions energy: -277.761
where: short stacking energy: -116.210
Base-Backbone interact. energy: -0.213
local terms energy: -121.469660
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -35.648
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: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -376.066626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.066626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.066626 (E_RNA)
where:
Base-Base interactions energy: -259.823
where: short stacking energy: -105.574
Base-Backbone interact. energy: -0.461
local terms energy: -115.781825
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -29.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -358.765108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.765108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.765108 (E_RNA)
where:
Base-Base interactions energy: -260.828
where: short stacking energy: -101.650
Base-Backbone interact. energy: -0.691
local terms energy: -97.246362
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -24.616
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: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -338.365053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.365053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.365053 (E_RNA)
where:
Base-Base interactions energy: -231.172
where: short stacking energy: -100.202
Base-Backbone interact. energy: -0.471
local terms energy: -106.721681
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -327.964052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.964052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.964052 (E_RNA)
where:
Base-Base interactions energy: -221.110
where: short stacking energy: -92.279
Base-Backbone interact. energy: 2.782
local terms energy: -109.636147
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -248.372563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.372563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.372563 (E_RNA)
where:
Base-Base interactions energy: -144.969
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.755
local terms energy: -102.648464
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -190.045445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.045445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.045445 (E_RNA)
where:
Base-Base interactions energy: -111.260
where: short stacking energy: -55.968
Base-Backbone interact. energy: -0.975
local terms energy: -77.810307
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -127.412534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.412534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.412534 (E_RNA)
where:
Base-Base interactions energy: -62.306
where: short stacking energy: -37.673
Base-Backbone interact. energy: -0.155
local terms energy: -64.951031
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: 0.650
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: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -121.164519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.164519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.164519 (E_RNA)
where:
Base-Base interactions energy: -62.389
where: short stacking energy: -45.110
Base-Backbone interact. energy: -0.139
local terms energy: -58.636967
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -413.541262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.541262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.541262 (E_RNA)
where:
Base-Base interactions energy: -298.652
where: short stacking energy: -108.097
Base-Backbone interact. energy: -0.678
local terms energy: -114.211167
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -26.415
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: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -406.545921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.545921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.545921 (E_RNA)
where:
Base-Base interactions energy: -290.447
where: short stacking energy: -112.021
Base-Backbone interact. energy: -0.247
local terms energy: -115.852015
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -35.261
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: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -387.040282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.040282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.040282 (E_RNA)
where:
Base-Base interactions energy: -270.784
where: short stacking energy: -116.483
Base-Backbone interact. energy: -0.402
local terms energy: -115.854004
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -26.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -343.774024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.774024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.774024 (E_RNA)
where:
Base-Base interactions energy: -240.358
where: short stacking energy: -98.298
Base-Backbone interact. energy: -0.104
local terms energy: -103.312224
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -355.075326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.075326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.075326 (E_RNA)
where:
Base-Base interactions energy: -249.354
where: short stacking energy: -101.703
Base-Backbone interact. energy: -0.255
local terms energy: -105.466940
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -17.533
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: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -315.644121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.644121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.644121 (E_RNA)
where:
Base-Base interactions energy: -212.891
where: short stacking energy: -83.552
Base-Backbone interact. energy: -0.427
local terms energy: -102.326457
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -17.404
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: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -228.687409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.687409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.687409 (E_RNA)
where:
Base-Base interactions energy: -143.894
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.245
local terms energy: -84.549247
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -186.613626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.613626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.613626 (E_RNA)
where:
Base-Base interactions energy: -100.763
where: short stacking energy: -48.504
Base-Backbone interact. energy: -0.599
local terms energy: -85.252157
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -122.281299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.281299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.281299 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -37.123
Base-Backbone interact. energy: -0.151
local terms energy: -80.073893
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -109.671521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.671521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.671521 (E_RNA)
where:
Base-Base interactions energy: -44.056
where: short stacking energy: -40.127
Base-Backbone interact. energy: -0.174
local terms energy: -65.441770
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -2.334
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)
out arg RESULTS//1/577_Structure_Predic-d3084cea_01
DONE
DONE
DONE
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DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -413.319485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.319485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.319485 (E_RNA)
where:
Base-Base interactions energy: -295.357
where: short stacking energy: -122.326
Base-Backbone interact. energy: -0.081
local terms energy: -117.881870
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -37.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -404.208768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.208768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.208768 (E_RNA)
where:
Base-Base interactions energy: -288.400
where: short stacking energy: -113.407
Base-Backbone interact. energy: -1.001
local terms energy: -114.807846
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -31.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -373.813764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.813764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.813764 (E_RNA)
where:
Base-Base interactions energy: -274.714
where: short stacking energy: -112.074
Base-Backbone interact. energy: 1.158
local terms energy: -100.257538
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -26.531
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: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -343.718602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.718602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.718602 (E_RNA)
where:
Base-Base interactions energy: -240.843
where: short stacking energy: -100.040
Base-Backbone interact. energy: -1.338
local terms energy: -101.536862
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -26.044
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: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -373.404707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.404707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.404707 (E_RNA)
where:
Base-Base interactions energy: -267.297
where: short stacking energy: -100.196
Base-Backbone interact. energy: -0.861
local terms energy: -105.246442
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -20.909
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: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -309.317205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.317205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.317205 (E_RNA)
where:
Base-Base interactions energy: -216.340
where: short stacking energy: -82.138
Base-Backbone interact. energy: -0.631
local terms energy: -92.345987
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -226.063400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.063400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.063400 (E_RNA)
where:
Base-Base interactions energy: -141.837
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.591
local terms energy: -83.635733
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -233.421981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.421981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.421981 (E_RNA)
where:
Base-Base interactions energy: -156.773
where: short stacking energy: -73.347
Base-Backbone interact. energy: 2.571
local terms energy: -79.220557
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -7.164
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: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -143.454939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.454939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.454939 (E_RNA)
where:
Base-Base interactions energy: -65.681
where: short stacking energy: -45.430
Base-Backbone interact. energy: 0.298
local terms energy: -78.071876
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -117.539775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.539775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.539775 (E_RNA)
where:
Base-Base interactions energy: -55.633
where: short stacking energy: -29.403
Base-Backbone interact. energy: 1.525
local terms energy: -63.431969
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -6.632
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)